N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide

C11H9Cl2N3O — CID 42110981

IUPACN-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H9Cl2N3O/c1-16-6-5-9(15-16)11(17)14-8-4-2-3-7(12)10(8)13/h2-6H,1H3,(H,14,17)
InChIKeySGCXIWXHZKYNPQ-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.98
Rot. Bonds2

About N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide

N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 42110981) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID42110981
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC NameN-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H9Cl2N3O/c1-16-6-5-9(15-16)11(17)14-8-4-2-3-7(12)10(8)13/h2-6H,1H3,(H,14,17)
InChIKeySGCXIWXHZKYNPQ-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
CID 103117436
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121262
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
N-(2,3-dichlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402707
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144
N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
CID 112524553
4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 841895
N-[2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121232
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864422

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide (CID 42110981) is N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is SGCXIWXHZKYNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-16-6-5-9(15-16)11(17)14-8-4-2-3-7(12)10(8)13/h2-6H,1H3,(H,14,17).
What are the key properties of N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide?
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 270.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).