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

C24H23N5O3 — CID 50780674

IUPAC1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCC5)n4)cc3)nc2C)c1
InChIInChI=1S/C24H23N5O3/c1-15-21(23(30)25-18-7-4-8-20(13-18)31-2)14-29(27-15)19-11-9-16(10-12-19)22-26-24(32-28-22)17-5-3-6-17/h4,7-14,17H,3,5-6H2,1-2H3,(H,25,30)
InChIKeyXNPQNWAMNSQOOO-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.76
Rot. Bonds6

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

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 50780674) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID50780674
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCC5)n4)cc3)nc2C)c1
InChIInChI=1S/C24H23N5O3/c1-15-21(23(30)25-18-7-4-8-20(13-18)31-2)14-29(27-15)19-11-9-16(10-12-19)22-26-24(32-28-22)17-5-3-6-17/h4,7-14,17H,3,5-6H2,1-2H3,(H,25,30)
InChIKeyXNPQNWAMNSQOOO-UHFFFAOYSA-N
XLogP4.76
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 50780675
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780800
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780823
[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 50780510
N-(3-chloro-4-methoxyphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
CID 50821329
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780655
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
[1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50780802
N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
CID 50821256
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide (CID 50780674) is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide is COc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCC5)n4)cc3)nc2C)c1.
What is the InChIKey of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is XNPQNWAMNSQOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15-21(23(30)25-18-7-4-8-20(13-18)31-2)14-29(27-15)19-11-9-16(10-12-19)22-26-24(32-28-22)17-5-3-6-17/h4,7-14,17H,3,5-6H2,1-2H3,(H,25,30).
What are the key properties of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 50780674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).