5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H22N4O2 — CID 96514247

IUPAC5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)[nH]n1
InChIInChI=1S/C16H22N4O2/c17-16(22)14-9-13(18-19-14)12-6-3-7-20(10-12)15(21)8-11-4-1-2-5-11/h1,4,9,11-12H,2-3,5-8,10H2,(H2,17,22)(H,18,19)/t11-,12+/m0/s1
InChIKeyJLKJVASIJLCPAR-NWDGAFQWSA-N
MW302.38 g/mol
LogP1.57
Rot. Bonds4

About 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514247) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96514247
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)[nH]n1
InChIInChI=1S/C16H22N4O2/c17-16(22)14-9-13(18-19-14)12-6-3-7-20(10-12)15(21)8-11-4-1-2-5-11/h1,4,9,11-12H,2-3,5-8,10H2,(H2,17,22)(H,18,19)/t11-,12+/m0/s1
InChIKeyJLKJVASIJLCPAR-NWDGAFQWSA-N
XLogP1.57
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754
5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514090
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[1-[3-(oxolan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871692
5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514055
5-[(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514274
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
5-[(3R)-1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217776
5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514288
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
5-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871669

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514247) is 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)[nH]n1.
What is the InChIKey of 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is JLKJVASIJLCPAR-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-16(22)14-9-13(18-19-14)12-6-3-7-20(10-12)15(21)8-11-4-1-2-5-11/h1,4,9,11-12H,2-3,5-8,10H2,(H2,17,22)(H,18,19)/t11-,12+/m0/s1.
What are the key properties of 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).