Cas no 844693-03-4 (1H-Pyrazol-5-ol,1-butyl-3-methyl-)
844693-03-4 structure
Product Name:1H-Pyrazol-5-ol,1-butyl-3-methyl-
CAS No:844693-03-4
MF:C8H14N2O
MW:154.209561824799
CID:716285
PubChem ID:12385123
Update Time:2025-04-19
1H-Pyrazol-5-ol,1-butyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazol-5-ol,1-butyl-3-methyl-
- SCHEMBL11782320
- 1-Butyl-3-methyl-1H-pyrazol-5-ol
- 844693-03-4
- AKOS014313618
- SCHEMBL23399886
-
- Inchi： 1S/C8H14N2O/c1-3-4-5-10-8(11)6-7(2)9-10/h6,9H,3-5H2,1-2H3
- InChI Key： KEOZRIRNDUJXLQ-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)NN1CCCC
Computed Properties
- Exact Mass: 154.110613074g/mol
- Monoisotopic Mass: 154.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 187
- 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: 1.5
- Topological Polar Surface Area: 32.3?2
1H-Pyrazol-5-ol,1-butyl-3-methyl- Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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