1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide

C21H23N5O2 — CID 134053187

IUPAC1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESCn1ncc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1-n1cccc1
InChIInChI=1S/C21H23N5O2/c1-24-20(25-11-5-6-12-25)18(14-22-24)21(28)26-13-7-8-16(15-26)19(27)23-17-9-3-2-4-10-17/h2-6,9-12,14,16H,7-8,13,15H2,1H3,(H,23,27)
InChIKeyOSAUABYMRCIJJM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.70
Rot. Bonds4

About 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide

1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 134053187) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
PubChem CID134053187
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESCn1ncc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1-n1cccc1
InChIInChI=1S/C21H23N5O2/c1-24-20(25-11-5-6-12-25)18(14-22-24)21(28)26-13-7-8-16(15-26)19(27)23-17-9-3-2-4-10-17/h2-6,9-12,14,16H,7-8,13,15H2,1H3,(H,23,27)
InChIKeyOSAUABYMRCIJJM-UHFFFAOYSA-N
XLogP2.70
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 92668645
(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 58724571
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55520901
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 24624840
N-[(4-methylphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 20892874
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide (CID 134053187) is 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide is Cn1ncc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1-n1cccc1.
What is the InChIKey of 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is OSAUABYMRCIJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-20(25-11-5-6-12-25)18(14-22-24)21(28)26-13-7-8-16(15-26)19(27)23-17-9-3-2-4-10-17/h2-6,9-12,14,16H,7-8,13,15H2,1H3,(H,23,27).
What are the key properties of 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide?
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 134053187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).