N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide

C26H25N3O — CID 143069710

IUPACN,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C26H25N3O/c1-19-11-10-12-21(17-19)18-28(3)26(30)24-20(2)29(23-15-8-5-9-16-23)27-25(24)22-13-6-4-7-14-22/h4-17H,18H2,1-3H3
InChIKeyXVVSBMCSGSXRRQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.43
Rot. Bonds5

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

N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 143069710) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID143069710
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C26H25N3O/c1-19-11-10-12-21(17-19)18-28(3)26(30)24-20(2)29(23-15-8-5-9-16-23)27-25(24)22-13-6-4-7-14-22/h4-17H,18H2,1-3H3
InChIKeyXVVSBMCSGSXRRQ-UHFFFAOYSA-N
XLogP5.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478030
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
N-benzyl-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 143069730
N-[(2-chloro-6-fluorophenyl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 31361212
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide (CID 143069710) is N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide is Cc1cccc(CN(C)C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is XVVSBMCSGSXRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-11-10-12-21(17-19)18-28(3)26(30)24-20(2)29(23-15-8-5-9-16-23)27-25(24)22-13-6-4-7-14-22/h4-17H,18H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 143069710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).