1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide

C26H30N4O2 — CID 32541952

IUPAC1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NC3CCN(C(=O)C(C)C)CC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H30N4O2/c1-18(2)26(32)29-15-13-21(14-16-29)27-25(31)23-17-30(22-11-9-19(3)10-12-22)28-24(23)20-7-5-4-6-8-20/h4-12,17-18,21H,13-16H2,1-3H3,(H,27,31)
InChIKeyLGLRXVNHVXLLQS-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.22
Rot. Bonds5

About 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide

1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide (PubChem CID 32541952) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
PubChem CID32541952
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NC3CCN(C(=O)C(C)C)CC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H30N4O2/c1-18(2)26(32)29-15-13-21(14-16-29)27-25(31)23-17-30(22-11-9-19(3)10-12-22)28-24(23)20-7-5-4-6-8-20/h4-12,17-18,21H,13-16H2,1-3H3,(H,27,31)
InChIKeyLGLRXVNHVXLLQS-UHFFFAOYSA-N
XLogP4.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 46698646
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119517892
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 60513846
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46510476

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide (CID 32541952) is 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NC3CCN(C(=O)C(C)C)CC3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is LGLRXVNHVXLLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18(2)26(32)29-15-13-21(14-16-29)27-25(31)23-17-30(22-11-9-19(3)10-12-22)28-24(23)20-7-5-4-6-8-20/h4-12,17-18,21H,13-16H2,1-3H3,(H,27,31).
What are the key properties of 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide?
1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 32541952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).