2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 113263276

IUPAC2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCCC2C(=O)O)nn1C
InChIInChI=1S/C13H19N3O3/c1-8-7-11(15-16(8)2)12(17)14-10-6-4-3-5-9(10)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyNRLQTHRLKCNRJR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.10
Rot. Bonds3

About 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 113263276) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID113263276
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCCC2C(=O)O)nn1C
InChIInChI=1S/C13H19N3O3/c1-8-7-11(15-16(8)2)12(17)14-10-6-4-3-5-9(10)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyNRLQTHRLKCNRJR-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

N-[2-(bromomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 114219227
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
tert-butyl (2R,3S)-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 99787872
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide
CID 136586301
N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279634
cis-(1S,2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146109119
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40641940
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide
CID 78150960
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 113263276) is 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2CCCCC2C(=O)O)nn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NRLQTHRLKCNRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-7-11(15-16(8)2)12(17)14-10-6-4-3-5-9(10)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(1,5-dimethylpyrazole-3-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 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113263276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).