1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide

C20H24N6O — CID 118777279

IUPAC1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(Cc2ccccc2)c1)c1nncn1C1CCCC1
InChIInChI=1S/C20H24N6O/c1-15(19-24-21-14-26(19)18-9-5-6-10-18)23-20(27)17-11-22-25(13-17)12-16-7-3-2-4-8-16/h2-4,7-8,11,13-15,18H,5-6,9-10,12H2,1H3,(H,23,27)
InChIKeyXJOWLZWGMGJLDL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.13
Rot. Bonds6

About 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide

1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 118777279) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID118777279
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(Cc2ccccc2)c1)c1nncn1C1CCCC1
InChIInChI=1S/C20H24N6O/c1-15(19-24-21-14-26(19)18-9-5-6-10-18)23-20(27)17-11-22-25(13-17)12-16-7-3-2-4-8-16/h2-4,7-8,11,13-15,18H,5-6,9-10,12H2,1H3,(H,23,27)
InChIKeyXJOWLZWGMGJLDL-UHFFFAOYSA-N
XLogP3.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 125173992
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-phenylsulfanylacetamide
CID 118773114
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-5-ethylthiophene-3-carboxamide
CID 125174195
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 154904698
1-benzylpyrazole-4-carbohydrazide
CID 83386286

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide (CID 118777279) is 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(Cc2ccccc2)c1)c1nncn1C1CCCC1.
What is the InChIKey of 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is XJOWLZWGMGJLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15(19-24-21-14-26(19)18-9-5-6-10-18)23-20(27)17-11-22-25(13-17)12-16-7-3-2-4-8-16/h2-4,7-8,11,13-15,18H,5-6,9-10,12H2,1H3,(H,23,27).
What are the key properties of 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide?
1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 118777279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).