Cas no 1006440-58-9 (4-nitro- 1H-Pyrazole-1-propanol)
1006440-58-9 structure
Product Name:4-nitro- 1H-Pyrazole-1-propanol
CAS No:1006440-58-9
MF:C6H9N3O3
MW:171.153960943222
CID:2130467
PubChem ID:19621837
Update Time:2025-04-21
4-nitro- 1H-Pyrazole-1-propanol Chemical and Physical Properties
Names and Identifiers
-
- 4-nitro- 1H-Pyrazole-1-propanol
- 4-nitro-1-(3-hydroxypropyl)pyrazole
- 3-(4-Nitro-pyrazol-1-yl)-propan-1-ol
- DB-058468
- 3-(4-Nitro-1H-pyrazol-1-yl)propan-1-ol
- SCHEMBL15972089
- AKOS000312104
- VQMPBTACKKSVFG-UHFFFAOYSA-N
- 1006440-58-9
- 3-(4-nitropyrazol-1-yl)propan-1-ol
-
- Inchi： 1S/C6H9N3O3/c10-3-1-2-8-5-6(4-7-8)9(11)12/h4-5,10H,1-3H2
- InChI Key： VQMPBTACKKSVFG-UHFFFAOYSA-N
- SMILES： OCCCN1C=C(C=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 171.064391g/mol
- Monoisotopic Mass: 171.064391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 171.15g/mol
- XLogP3: -0.3
- Topological Polar Surface Area: 83.9?2
4-nitro- 1H-Pyrazole-1-propanol Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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