4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 60807901

IUPAC4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1c(C(=O)NC2CCC(C(=O)O)CC2)cnn1C
InChIInChI=1S/C13H19N3O3/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(4-6-10)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFHWJNHLGRILRIM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.10
Rot. Bonds3

About 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60807901) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60807901
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1c(C(=O)NC2CCC(C(=O)O)CC2)cnn1C
InChIInChI=1S/C13H19N3O3/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(4-6-10)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFHWJNHLGRILRIM-UHFFFAOYSA-N
XLogP1.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524602
1,5-dimethyl-N-(1-phenylpiperidin-4-yl)pyrazole-4-carboxamide
CID 86828696
N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524544
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63258060
4-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229971
cis-(1R,3S)-3-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678653
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
N-(2-chlorocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide
CID 113395054

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60807901) is 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1c(C(=O)NC2CCC(C(=O)O)CC2)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FHWJNHLGRILRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(4-6-10)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60807901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).