1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide

C16H16ClN3O2 — CID 111661678

IUPAC1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O2/c17-13-2-1-3-15(7-13)20-9-12(8-18-20)16(22)19-14-5-4-11(6-14)10-21/h1-5,7-9,11,14,21H,6,10H2,(H,19,22)/t11-,14+/m0/s1
InChIKeyACTXKAZNGXKBMG-SMDDNHRTSA-N
MW317.78 g/mol
LogP2.19
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide (PubChem CID 111661678) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
PubChem CID111661678
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O2/c17-13-2-1-3-15(7-13)20-9-12(8-18-20)16(22)19-14-5-4-11(6-14)10-21/h1-5,7-9,11,14,21H,6,10H2,(H,19,22)/t11-,14+/m0/s1
InChIKeyACTXKAZNGXKBMG-SMDDNHRTSA-N
XLogP2.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111696717
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 111630456
1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
CID 146124166
3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 110000319
1-(3-chlorophenyl)-N-(1-oxaspiro[4.4]nonan-4-yl)pyrazole-4-carboxamide
CID 136567789
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111661620
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111972019
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120892083
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide (CID 111661678) is 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide?
The InChIKey is ACTXKAZNGXKBMG-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-2-1-3-15(7-13)20-9-12(8-18-20)16(22)19-14-5-4-11(6-14)10-21/h1-5,7-9,11,14,21H,6,10H2,(H,19,22)/t11-,14+/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 111661678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).