1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide

C26H27N5O2 — CID 50780823

IUPAC1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)nc1C
InChIInChI=1S/C26H27N5O2/c1-3-18-8-6-7-11-23(18)27-25(32)22-16-31(29-17(22)2)21-14-12-19(13-15-21)24-28-26(33-30-24)20-9-4-5-10-20/h6-8,11-16,20H,3-5,9-10H2,1-2H3,(H,27,32)
InChIKeyVDGNYNKDRPMIBT-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.70
Rot. Bonds6

About 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide

1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 50780823) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID50780823
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)nc1C
InChIInChI=1S/C26H27N5O2/c1-3-18-8-6-7-11-23(18)27-25(32)22-16-31(29-17(22)2)21-14-12-19(13-15-21)24-28-26(33-30-24)20-9-4-5-10-20/h6-8,11-16,20H,3-5,9-10H2,1-2H3,(H,27,32)
InChIKeyVDGNYNKDRPMIBT-UHFFFAOYSA-N
XLogP5.70
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780800
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780655
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 50780675
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780674
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780609
[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 50780510
[1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50780802
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780768
N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
CID 50821256
(2R)-N-(2-ethylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7416330
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide
CID 50821188

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide (CID 50780823) is 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide is CCc1ccccc1NC(=O)c1cn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)nc1C.
What is the InChIKey of 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is VDGNYNKDRPMIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-3-18-8-6-7-11-23(18)27-25(32)22-16-31(29-17(22)2)21-14-12-19(13-15-21)24-28-26(33-30-24)20-9-4-5-10-20/h6-8,11-16,20H,3-5,9-10H2,1-2H3,(H,27,32).
What are the key properties of 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide?
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 50780823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).