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

C13H13Cl2N3O2 — CID 5048499

IUPAC4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C13H13Cl2N3O2/c1-7-11(15)12(18(2)17-7)13(19)16-9-6-8(14)4-5-10(9)20-3/h4-6H,1-3H3,(H,16,19)
InChIKeyFRYDJEQUHFNWEL-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.30
Rot. Bonds3

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

4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 5048499) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID5048499
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C13H13Cl2N3O2/c1-7-11(15)12(18(2)17-7)13(19)16-9-6-8(14)4-5-10(9)20-3/h4-6H,1-3H3,(H,16,19)
InChIKeyFRYDJEQUHFNWEL-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4278668
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204438
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749032
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47208307
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 5048499) is 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c(Cl)c(C)nn1C.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is FRYDJEQUHFNWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-7-11(15)12(18(2)17-7)13(19)16-9-6-8(14)4-5-10(9)20-3/h4-6H,1-3H3,(H,16,19).
What are the key properties of 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 314.17 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 5048499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).