3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide

C13H22N4O — CID 64524883

IUPAC3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCCCC1CCC(NC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C13H22N4O/c1-2-3-9-4-6-10(7-5-9)15-13(18)11-8-12(14)17-16-11/h8-10H,2-7H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyFFFIIKCINCSFRZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide

3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524883) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID64524883
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCCCC1CCC(NC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C13H22N4O/c1-2-3-9-4-6-10(7-5-9)15-13(18)11-8-12(14)17-16-11/h8-10H,2-7H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyFFFIIKCINCSFRZ-UHFFFAOYSA-N
XLogP2.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 209
CID 132070225
5-amino-N-methyl-1H-pyrazole-3-carboxamide
CID 51072191
5-amino-N-{[trans-4-(hydroxymethyl)cyclohexyl]methyl}-1H-pyrazole-3-carboxamide
CID 124218327
3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 125444395
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523479
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64524050
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64524050
(3-amino-1H-pyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65533394
3-amino-N-(2-fluoroethyl)-1H-pyrazole-5-carboxamide
CID 133666471
5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 20918273
5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 20918273
5-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 91771328

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide (CID 64524883) is 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide is CCCC1CCC(NC(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FFFIIKCINCSFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-9-4-6-10(7-5-9)15-13(18)11-8-12(14)17-16-11/h8-10H,2-7H2,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).