N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

C28H25N5O — CID 24676373

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C28H25N5O/c1-21-9-5-8-14-25(21)27-26(19-33(31-27)24-12-3-2-4-13-24)28(34)30-17-22-10-6-7-11-23(22)18-32-16-15-29-20-32/h2-16,19-20H,17-18H2,1H3,(H,30,34)
InChIKeyZZDNAIFJXYXUSA-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.02
Rot. Bonds7

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24676373) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID24676373
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C28H25N5O/c1-21-9-5-8-14-25(21)27-26(19-33(31-27)24-12-3-2-4-13-24)28(34)30-17-22-10-6-7-11-23(22)18-32-16-15-29-20-32/h2-16,19-20H,17-18H2,1H3,(H,30,34)
InChIKeyZZDNAIFJXYXUSA-UHFFFAOYSA-N
XLogP5.02
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylphenyl)-1-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55619283
3-(2-methylphenyl)-1-phenyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 146089712
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 55475406
2,4-dichloro-5-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24676423
3-(2-methoxyphenyl)-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31340329
N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55976787
3-(2-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55954223
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 86951551
N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 26247359
3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369411
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 24676373) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccccc1Cn1ccnc1.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZZDNAIFJXYXUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O/c1-21-9-5-8-14-25(21)27-26(19-33(31-27)24-12-3-2-4-13-24)28(34)30-17-22-10-6-7-11-23(22)18-32-16-15-29-20-32/h2-16,19-20H,17-18H2,1H3,(H,30,34).
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24676373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).