4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide

C12H10Cl3N3O — CID 19266700

IUPAC4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)nn1C
InChIInChI=1S/C12H10Cl3N3O/c1-6-9(15)11(17-18(6)2)12(19)16-10-7(13)4-3-5-8(10)14/h3-5H,1-2H3,(H,16,19)
InChIKeyKSBKFQUIEJLXJH-UHFFFAOYSA-N
MW318.59 g/mol
LogP3.94
Rot. Bonds2

About 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266700) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266700
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC Name4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)nn1C
InChIInChI=1S/C12H10Cl3N3O/c1-6-9(15)11(17-18(6)2)12(19)16-10-7(13)4-3-5-8(10)14/h3-5H,1-2H3,(H,16,19)
InChIKeyKSBKFQUIEJLXJH-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266964
4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19266677
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
2-[3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 122109426
4-chloro-1,5-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 39853788
4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267877
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide
CID 110864315
4-[(2,6-dichlorophenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498506
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19442181
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 122108747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 19266700) is 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)nn1C.
What is the InChIKey of 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is KSBKFQUIEJLXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-6-9(15)11(17-18(6)2)12(19)16-10-7(13)4-3-5-8(10)14/h3-5H,1-2H3,(H,16,19).
What are the key properties of 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 318.59 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).