N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C19H19N3O — CID 850670

IUPACN-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H19N3O/c1-13-9-10-14(2)18(11-13)21-19(23)17-12-20-22(15(17)3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,21,23)
InChIKeyXITUCKFBZVDDDY-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.05
Rot. Bonds3

About N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850670) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850670
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H19N3O/c1-13-9-10-14(2)18(11-13)21-19(23)17-12-20-22(15(17)3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,21,23)
InChIKeyXITUCKFBZVDDDY-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 36704468
N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 86912856
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791923
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 108741734
5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 25299287
5-methyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55700571
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850670) is N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is XITUCKFBZVDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-9-10-14(2)18(11-13)21-19(23)17-12-20-22(15(17)3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).