1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C14H15N3O — CID 58713629

IUPAC1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccccc2)c2c1CCC2
InChIInChI=1S/C14H15N3O/c15-14(18)13-11-7-4-8-12(11)17(16-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,15,18)
InChIKeyVQZBZGSSNLQSCA-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.52
Rot. Bonds3

About 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 58713629) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID58713629
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccccc2)c2c1CCC2
InChIInChI=1S/C14H15N3O/c15-14(18)13-11-7-4-8-12(11)17(16-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,15,18)
InChIKeyVQZBZGSSNLQSCA-UHFFFAOYSA-N
XLogP1.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 143116638
1-benzyl-3-(bromomethyl)-4,5,6,7-tetrahydroindazole
CID 10614502
methyl 2-[(1-benzyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate
CID 59836320
4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide
CID 110458508
1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole
CID 143116710
[(2S,3R)-3-[(1-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)amino]-2-bicyclo[2.2.1]heptanyl] ethyl carbonate
CID 66647637
ethyl [(2R,3S)-3-[(1-benzyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]-2-bicyclo[2.2.1]heptanyl]sulfanylformate
CID 163676047
1-benzyl-5-(dimethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162755
1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82588556
4-[[3-[6-[1-[(4-carboxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid
CID 100963446
methyl 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 58267515

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 58713629) is 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is NC(=O)c1nn(Cc2ccccc2)c2c1CCC2.
What is the InChIKey of 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VQZBZGSSNLQSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)13-11-7-4-8-12(11)17(16-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,15,18).
What are the key properties of 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 58713629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).