4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide

C12H10Cl3N3O2 — CID 71859224

IUPAC4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O
InChIInChI=1S/C12H10Cl3N3O2/c1-17(2)12(20)10-9(19)5-18(16-10)11-7(14)3-6(13)4-8(11)15/h3-5,19H,1-2H3
InChIKeyRMBSFPMVXZBIHX-UHFFFAOYSA-N
MW334.59 g/mol
LogP3.24
Rot. Bonds2

About 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide

4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (PubChem CID 71859224) has the molecular formula C12H10Cl3N3O2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
PubChem CID71859224
Molecular FormulaC12H10Cl3N3O2
Molecular Weight334.59 g/mol
Exact Mass332.98
IUPAC Name4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O
InChIInChI=1S/C12H10Cl3N3O2/c1-17(2)12(20)10-9(19)5-18(16-10)11-7(14)3-6(13)4-8(11)15/h3-5,19H,1-2H3
InChIKeyRMBSFPMVXZBIHX-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-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

1-(2,4-dichloro-6-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381249
1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 65475698
N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-hydroxy-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
CID 166193506
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 112798219
methyl 1-(3-chloro-4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
CID 705932
[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium
CID 59068111
1-(2,4-dichlorophenyl)-N,N-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932378
4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95748095
2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452287
1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381233
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (CID 71859224) is 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is CN(C)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is RMBSFPMVXZBIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O2/c1-17(2)12(20)10-9(19)5-18(16-10)11-7(14)3-6(13)4-8(11)15/h3-5,19H,1-2H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 334.59 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71859224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).