Cas no 85561-52-0 (1H-Pyrazole-4,5-diamine, 1-phenyl-)
85561-52-0 structure
Product Name:1H-Pyrazole-4,5-diamine, 1-phenyl-
CAS No:85561-52-0
MF:C9H10N4
MW:174.20250082016
CID:1839234
PubChem ID:10654819
Update Time:2025-04-21
1H-Pyrazole-4,5-diamine, 1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4,5-diamine, 1-phenyl-
- 2-phenylpyrazole-3,4-diamine
- 85561-52-0
- DTXSID30443002
- SCHEMBL1753026
- NDWSQHPRNWYCAH-UHFFFAOYSA-N
- 1-phenyl-1h-pyrazole-4,5-diamine
- 2-phenyl-2H-pyrazole-3,4-diamine
- DB-126968
-
- Inchi： 1S/C9H10N4/c10-8-6-12-13(9(8)11)7-4-2-1-3-5-7/h1-6H,10-11H2
- InChI Key： NDWSQHPRNWYCAH-UHFFFAOYSA-N
- SMILES： N1(C(=C(C=N1)N)N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 174.090546336g/mol
- Monoisotopic Mass: 174.090546336g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 167
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 69.9?2
1H-Pyrazole-4,5-diamine, 1-phenyl- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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