Cas no 110086-31-2 (1H-Pyrazol-3-amine, 5-(1-methylcyclohexyl)-)
110086-31-2 structure
Product Name:1H-Pyrazol-3-amine, 5-(1-methylcyclohexyl)-
CAS No:110086-31-2
MF:C10H17N3
MW:179.262081861496
CID:1190721
PubChem ID:86156115
Update Time:2025-04-20
1H-Pyrazol-3-amine, 5-(1-methylcyclohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazol-3-amine, 5-(1-methylcyclohexyl)-
- 5-(1-methylcyclohexyl)-1H-pyrazol-3-amine
- 3-(1-Methylcyclohexyl)-1H-pyrazol-5-amine
- AT38770
- EN300-1150350
- 110086-31-2
-
- Inchi： 1S/C10H17N3/c1-10(5-3-2-4-6-10)8-7-9(11)13-12-8/h7H,2-6H2,1H3,(H3,11,12,13)
- InChI Key： JBVHPGFVTVMNEV-UHFFFAOYSA-N
- SMILES： N1C(=CC(N)=N1)C1(C)CCCCC1
Computed Properties
- Exact Mass: 179.14241
- Monoisotopic Mass: 179.142247555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 175
- 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: 2.6
- Topological Polar Surface Area: 54.7?2
Experimental Properties
- PSA: 54.7
1H-Pyrazol-3-amine, 5-(1-methylcyclohexyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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