2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide

C18H18N4O2 — CID 136566757

IUPAC2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccon2)cc1)c1ccnn1C1CCCC1
InChIInChI=1S/C18H18N4O2/c23-18(17-9-11-19-22(17)15-3-1-2-4-15)20-14-7-5-13(6-8-14)16-10-12-24-21-16/h5-12,15H,1-4H2,(H,20,23)
InChIKeyIBCZKKPXORPKJP-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.91
Rot. Bonds4

About 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide

2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 136566757) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
PubChem CID136566757
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccon2)cc1)c1ccnn1C1CCCC1
InChIInChI=1S/C18H18N4O2/c23-18(17-9-11-19-22(17)15-3-1-2-4-15)20-14-7-5-13(6-8-14)16-10-12-24-21-16/h5-12,15H,1-4H2,(H,20,23)
InChIKeyIBCZKKPXORPKJP-UHFFFAOYSA-N
XLogP3.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide (CID 136566757) is 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(-c2ccon2)cc1)c1ccnn1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is IBCZKKPXORPKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(17-9-11-19-22(17)15-3-1-2-4-15)20-14-7-5-13(6-8-14)16-10-12-24-21-16/h5-12,15H,1-4H2,(H,20,23).
What are the key properties of 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide?
2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136566757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).