1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid

C24H26N4O3 — CID 53213876

IUPAC1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid
SMILESCc1cccc(-n2nc(C)c(NC(=O)c3ccccc3)c2N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C24H26N4O3/c1-16-7-6-10-20(15-16)28-23(27-13-11-19(12-14-27)24(30)31)21(17(2)26-28)25-22(29)18-8-4-3-5-9-18/h3-10,15,19H,11-14H2,1-2H3,(H,25,29)(H,30,31)
InChIKeyNALZCWJEQUNETK-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.04
Rot. Bonds5

About 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid

1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid (PubChem CID 53213876) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid
PubChem CID53213876
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid
SMILESCc1cccc(-n2nc(C)c(NC(=O)c3ccccc3)c2N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C24H26N4O3/c1-16-7-6-10-20(15-16)28-23(27-13-11-19(12-14-27)24(30)31)21(17(2)26-28)25-22(29)18-8-4-3-5-9-18/h3-10,15,19H,11-14H2,1-2H3,(H,25,29)(H,30,31)
InChIKeyNALZCWJEQUNETK-UHFFFAOYSA-N
XLogP4.04
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46358506
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 46358606
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46358720
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92876422
N-[(3-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358570
1-[4-(butanoylamino)-1-(4-methoxyphenyl)-3-methylpyrazol-5-yl]piperidine-4-carboxylic acid
CID 53213874
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 92876417
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292

Frequently Asked Questions

What is the IUPAC name of 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid (CID 53213876) is 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid is Cc1cccc(-n2nc(C)c(NC(=O)c3ccccc3)c2N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid?
The InChIKey is NALZCWJEQUNETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-7-6-10-20(15-16)28-23(27-13-11-19(12-14-27)24(30)31)21(17(2)26-28)25-22(29)18-8-4-3-5-9-18/h3-10,15,19H,11-14H2,1-2H3,(H,25,29)(H,30,31).
What are the key properties of 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid?
1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid has a molecular weight of 418.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 53213876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).