1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide

C17H27N3O — CID 126786160

IUPAC1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C2CCCC2)cnn1C1CCCC1
InChIInChI=1S/C17H27N3O/c1-12(14-7-3-4-8-14)19-17(21)16-11-18-20(13(16)2)15-9-5-6-10-15/h11-12,14-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyKKPWFGODAOWTFC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide (PubChem CID 126786160) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
PubChem CID126786160
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C2CCCC2)cnn1C1CCCC1
InChIInChI=1S/C17H27N3O/c1-12(14-7-3-4-8-14)19-17(21)16-11-18-20(13(16)2)15-9-5-6-10-15/h11-12,14-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyKKPWFGODAOWTFC-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide (CID 126786160) is 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC(C)C2CCCC2)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is KKPWFGODAOWTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(14-7-3-4-8-14)19-17(21)16-11-18-20(13(16)2)15-9-5-6-10-15/h11-12,14-15H,3-10H2,1-2H3,(H,19,21).
What are the key properties of 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126786160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).