1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid

C18H22N4O3 — CID 122091063

IUPAC1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(-n2cc(NC(=O)N3CCC(C(=O)O)CC3)cn2)c(C)c1
InChIInChI=1S/C18H22N4O3/c1-12-3-4-16(13(2)9-12)22-11-15(10-19-22)20-18(25)21-7-5-14(6-8-21)17(23)24/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyLRPPJALSNRZDAB-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.82
Rot. Bonds3

About 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122091063) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122091063
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(-n2cc(NC(=O)N3CCC(C(=O)O)CC3)cn2)c(C)c1
InChIInChI=1S/C18H22N4O3/c1-12-3-4-16(13(2)9-12)22-11-15(10-19-22)20-18(25)21-7-5-14(6-8-21)17(23)24/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyLRPPJALSNRZDAB-UHFFFAOYSA-N
XLogP2.82
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122091071
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102926
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091062
N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide
CID 128787355
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122084742
1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 75469055
1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078984
1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
9-methyl-N-(1-phenylpyrazol-4-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867133

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid (CID 122091063) is 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid is Cc1ccc(-n2cc(NC(=O)N3CCC(C(=O)O)CC3)cn2)c(C)c1.
What is the InChIKey of 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LRPPJALSNRZDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-3-4-16(13(2)9-12)22-11-15(10-19-22)20-18(25)21-7-5-14(6-8-21)17(23)24/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122091063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).