1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C19H24N4O3 — CID 122102926

IUPAC1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc(-n2cc(NC(=O)N3CC(C)CC(C(=O)O)C3)cn2)c(C)c1
InChIInChI=1S/C19H24N4O3/c1-12-4-5-17(14(3)6-12)23-11-16(8-20-23)21-19(26)22-9-13(2)7-15(10-22)18(24)25/h4-6,8,11,13,15H,7,9-10H2,1-3H3,(H,21,26)(H,24,25)
InChIKeyUDSBFVQUVDTRSG-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.06
Rot. Bonds3

About 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102926) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102926
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc(-n2cc(NC(=O)N3CC(C)CC(C(=O)O)C3)cn2)c(C)c1
InChIInChI=1S/C19H24N4O3/c1-12-4-5-17(14(3)6-12)23-11-16(8-20-23)21-19(26)22-9-13(2)7-15(10-22)18(24)25/h4-6,8,11,13,15H,7,9-10H2,1-3H3,(H,21,26)(H,24,25)
InChIKeyUDSBFVQUVDTRSG-UHFFFAOYSA-N
XLogP3.06
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102926) is 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is Cc1ccc(-n2cc(NC(=O)N3CC(C)CC(C(=O)O)C3)cn2)c(C)c1.
What is the InChIKey of 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is UDSBFVQUVDTRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-4-5-17(14(3)6-12)23-11-16(8-20-23)21-19(26)22-9-13(2)7-15(10-22)18(24)25/h4-6,8,11,13,15H,7,9-10H2,1-3H3,(H,21,26)(H,24,25).
What are the key properties of 1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 3.06, 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]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).