3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide

C23H23N5O2 — CID 50780718

IUPAC3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cn(-c3ccc(-c4noc(C)n4)cc3)nc2C)c(C)c1
InChIInChI=1S/C23H23N5O2/c1-13-10-14(2)21(15(3)11-13)25-23(29)20-12-28(26-16(20)4)19-8-6-18(7-9-19)22-24-17(5)30-27-22/h6-12H,1-5H3,(H,25,29)
InChIKeyXXYRNXVNRQQVTI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.72
Rot. Bonds4

About 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide

3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide (PubChem CID 50780718) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
PubChem CID50780718
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cn(-c3ccc(-c4noc(C)n4)cc3)nc2C)c(C)c1
InChIInChI=1S/C23H23N5O2/c1-13-10-14(2)21(15(3)11-13)25-23(29)20-12-28(26-16(20)4)19-8-6-18(7-9-19)22-24-17(5)30-27-22/h6-12H,1-5H3,(H,25,29)
InChIKeyXXYRNXVNRQQVTI-UHFFFAOYSA-N
XLogP4.72
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 50780812
N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780768
N-cyclopentyl-3-methyl-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 46378694
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780800
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-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780674
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780823
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-methylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 50780510
1-(4-fluorophenyl)-3,5-dimethyl-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 166294128
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide (CID 50780718) is 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2cn(-c3ccc(-c4noc(C)n4)cc3)nc2C)c(C)c1.
What is the InChIKey of 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The InChIKey is XXYRNXVNRQQVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-10-14(2)21(15(3)11-13)25-23(29)20-12-28(26-16(20)4)19-8-6-18(7-9-19)22-24-17(5)30-27-22/h6-12H,1-5H3,(H,25,29).
What are the key properties of 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 50780718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).