N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

C20H20ClN3O — CID 110299434

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3Cl)nn2C)cc1
InChIInChI=1S/C20H20ClN3O/c1-12-5-7-15(8-6-12)18-11-17(23-24(18)4)20(25)22-19-14(3)9-13(2)10-16(19)21/h5-11H,1-4H3,(H,22,25)
InChIKeyWHDAFNDGKHHOCU-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.92
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 110299434) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID110299434
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3Cl)nn2C)cc1
InChIInChI=1S/C20H20ClN3O/c1-12-5-7-15(8-6-12)18-11-17(23-24(18)4)20(25)22-19-14(3)9-13(2)10-16(19)21/h5-11H,1-4H3,(H,22,25)
InChIKeyWHDAFNDGKHHOCU-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide
CID 110695870
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 135267865
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550037
N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110615090
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (CID 110299434) is N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3Cl)nn2C)cc1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is WHDAFNDGKHHOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-12-5-7-15(8-6-12)18-11-17(23-24(18)4)20(25)22-19-14(3)9-13(2)10-16(19)21/h5-11H,1-4H3,(H,22,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110299434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).