1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide

C18H23N3O — CID 78874188

IUPAC1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCCC2)cnn1Cc1ccccc1
InChIInChI=1S/C18H23N3O/c1-2-17-16(18(22)20-15-10-6-7-11-15)12-19-21(17)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H,20,22)
InChIKeyUJACNZVPFZQCDM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.17
Rot. Bonds5

About 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide

1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide (PubChem CID 78874188) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
PubChem CID78874188
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCCC2)cnn1Cc1ccccc1
InChIInChI=1S/C18H23N3O/c1-2-17-16(18(22)20-15-10-6-7-11-15)12-19-21(17)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H,20,22)
InChIKeyUJACNZVPFZQCDM-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 112823781
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide
CID 78873658
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide (CID 78874188) is 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NC2CCCC2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide?
The InChIKey is UJACNZVPFZQCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-17-16(18(22)20-15-10-6-7-11-15)12-19-21(17)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78874188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).