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

C17H19N3O2 — CID 111696717

IUPAC1-benzyl-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(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c21-12-14-6-7-16(8-14)19-17(22)15-9-18-20(11-15)10-13-4-2-1-3-5-13/h1-7,9,11,14,16,21H,8,10,12H2,(H,19,22)/t14-,16+/m0/s1
InChIKeyQMHXYXCZJQQSKG-GOEBONIOSA-N
MW297.36 g/mol
LogP1.60
Rot. Bonds5

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

1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide (PubChem CID 111696717) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
PubChem CID111696717
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-benzyl-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(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c21-12-14-6-7-16(8-14)19-17(22)15-9-18-20(11-15)10-13-4-2-1-3-5-13/h1-7,9,11,14,16,21H,8,10,12H2,(H,19,22)/t14-,16+/m0/s1
InChIKeyQMHXYXCZJQQSKG-GOEBONIOSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.60
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-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75390022
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864249
1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxamide
CID 27710840
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 111630456
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
CID 111661211
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706
1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide
CID 138994345
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide (CID 111696717) is 1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-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(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide?
The InChIKey is QMHXYXCZJQQSKG-GOEBONIOSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-12-14-6-7-16(8-14)19-17(22)15-9-18-20(11-15)10-13-4-2-1-3-5-13/h1-7,9,11,14,16,21H,8,10,12H2,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of 1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide?
1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 111696717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).