3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide

C23H23N5O — CID 19284556

IUPAC3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1
InChIInChI=1S/C23H23N5O/c1-16-9-11-19(12-10-16)15-27-14-13-21(26-27)24-23(29)22-17(2)25-28(18(22)3)20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,24,26,29)
InChIKeyFHACPNQBQVBYSR-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds5

About 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide

3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 19284556) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID19284556
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1
InChIInChI=1S/C23H23N5O/c1-16-9-11-19(12-10-16)15-27-14-13-21(26-27)24-23(29)22-17(2)25-28(18(22)3)20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,24,26,29)
InChIKeyFHACPNQBQVBYSR-UHFFFAOYSA-N
XLogP4.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19284247
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477710
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477668
1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19281654
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284667
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide (CID 19284556) is 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is FHACPNQBQVBYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-9-11-19(12-10-16)15-27-14-13-21(26-27)24-23(29)22-17(2)25-28(18(22)3)20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,24,26,29).
What are the key properties of 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide?
3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19284556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).