1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide

C20H20ClN3O — CID 99122312

IUPAC1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnn(-c3ccccc3Cl)c2C)c(C)c1
InChIInChI=1S/C20H20ClN3O/c1-12-9-13(2)19(14(3)10-12)23-20(25)16-11-22-24(15(16)4)18-8-6-5-7-17(18)21/h5-11H,1-4H3,(H,23,25)
InChIKeyXJBILAUCKUCPKQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.01
Rot. Bonds3

About 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide (PubChem CID 99122312) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
PubChem CID99122312
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnn(-c3ccccc3Cl)c2C)c(C)c1
InChIInChI=1S/C20H20ClN3O/c1-12-9-13(2)19(14(3)10-12)23-20(25)16-11-22-24(15(16)4)18-8-6-5-7-17(18)21/h5-11H,1-4H3,(H,23,25)
InChIKeyXJBILAUCKUCPKQ-UHFFFAOYSA-N
XLogP5.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
CID 99701297
1-(2-chlorophenyl)-5-methyl-N-(thian-4-yl)pyrazole-4-carboxamide
CID 56788134
1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818120
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 120946465
N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 20875671
1-(2-chlorophenyl)-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 22267986
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
CID 38239464
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide (CID 99122312) is 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2cnn(-c3ccccc3Cl)c2C)c(C)c1.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
The InChIKey is XJBILAUCKUCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-12-9-13(2)19(14(3)10-12)23-20(25)16-11-22-24(15(16)4)18-8-6-5-7-17(18)21/h5-11H,1-4H3,(H,23,25).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 99122312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).