4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H21N3O3 — CID 120524602

IUPAC4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-21-16(12-5-3-2-4-6-12)15(11-19-21)17(22)20-14-9-7-13(8-10-14)18(23)24/h2-6,11,13-14H,7-10H2,1H3,(H,20,22)(H,23,24)
InChIKeyLSUGUXRDMPALEE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.46
Rot. Bonds4

About 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120524602) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120524602
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-21-16(12-5-3-2-4-6-12)15(11-19-21)17(22)20-14-9-7-13(8-10-14)18(23)24/h2-6,11,13-14H,7-10H2,1H3,(H,20,22)(H,23,24)
InChIKeyLSUGUXRDMPALEE-UHFFFAOYSA-N
XLogP2.46
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
1,5-dimethyl-N-(1-phenylpiperidin-4-yl)pyrazole-4-carboxamide
CID 86828696
N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 84598693
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229153
2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
4-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229971

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120524602) is 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1-c1ccccc1.
What is the InChIKey of 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LSUGUXRDMPALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21-16(12-5-3-2-4-6-12)15(11-19-21)17(22)20-14-9-7-13(8-10-14)18(23)24/h2-6,11,13-14H,7-10H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120524602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).