4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H17N3O3 — CID 54921251

IUPAC4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nccc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(3-5-9)12(17)18/h6-9H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyDOPLWVQGWPWGGP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.79
Rot. Bonds3

About 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 54921251) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID54921251
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nccc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(3-5-9)12(17)18/h6-9H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyDOPLWVQGWPWGGP-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
N-(3-fluorocyclopentyl)-2-methylpyrazole-3-carboxamide
CID 126790932
N-[(1S,3R)-3-fluorocyclopentyl]-2-methylpyrazole-3-carboxamide
CID 129348902
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
CID 105059420
4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229364
2-methyl-N-(2-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 106995091
4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 66120116
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901
2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903205
2-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172891004
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524602

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 54921251) is 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1nccc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DOPLWVQGWPWGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(3-5-9)12(17)18/h6-9H,2-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54921251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).