3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

C12H17N3O3 — CID 55235020

IUPAC3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1nccc1NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3/c1-15-10(5-6-13-15)14-11(16)8-3-2-4-9(7-8)12(17)18/h5-6,8-9H,2-4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyCCNWGEJBQSDNOE-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.25
Rot. Bonds3

About 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 55235020) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID55235020
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1nccc1NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3/c1-15-10(5-6-13-15)14-11(16)8-3-2-4-9(7-8)12(17)18/h5-6,8-9H,2-4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyCCNWGEJBQSDNOE-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide
CID 112524854
3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
trans-(1S,3S)-3-[(1-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 129379175
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
(2S)-N-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 94001045
3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789939
3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551453
1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea
CID 108813610
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112524848
1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096981
N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469787

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 55235020) is 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is Cn1nccc1NC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is CCNWGEJBQSDNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-10(5-6-13-15)14-11(16)8-3-2-4-9(7-8)12(17)18/h5-6,8-9H,2-4,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55235020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).