1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide

C23H24N4O2 — CID 95689853

IUPAC1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCC(=O)NC2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-7-9-18(10-8-16)22-20(23(29)25-19-11-12-21(28)24-13-19)15-27(26-22)14-17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,24,28)(H,25,29)/t19-/m1/s1
InChIKeyHYNSREDUBFVLIS-LJQANCHMSA-N
MW388.47 g/mol
LogP2.92
Rot. Bonds5

About 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide

1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 95689853) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide
PubChem CID95689853
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCC(=O)NC2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-7-9-18(10-8-16)22-20(23(29)25-19-11-12-21(28)24-13-19)15-27(26-22)14-17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,24,28)(H,25,29)/t19-/m1/s1
InChIKeyHYNSREDUBFVLIS-LJQANCHMSA-N
XLogP2.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119449675
1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424422
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 120944204
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9461304
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-3-(4-chlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 46477065
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
CID 120574310
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide (CID 95689853) is 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCC(=O)NC2)cc1.
What is the InChIKey of 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is HYNSREDUBFVLIS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-7-9-18(10-8-16)22-20(23(29)25-19-11-12-21(28)24-13-19)15-27(26-22)14-17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,24,28)(H,25,29)/t19-/m1/s1.
What are the key properties of 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide?
1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 95689853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).