N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide

C11H10ClN3O — CID 2837091

IUPACN-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(12)3-5-9/h2-7H,1H3,(H,14,16)
InChIKeyNNTOZVFUBINQGU-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.33
Rot. Bonds2

About N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide

N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 2837091) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID2837091
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC NameN-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(12)3-5-9/h2-7H,1H3,(H,14,16)
InChIKeyNNTOZVFUBINQGU-UHFFFAOYSA-N
XLogP2.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyl-1H-pyrazole-3-carboxamide
CID 680935
N-(2-Chlorophenyl)-1H-pyrazole-3-carboxamide
CID 668390
N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
N-(3-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 739812
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1490704
N-(2-Chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 739815
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
N-(2,5-dichlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 840311
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 5297393
(4-Chloro-2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 6464474

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide (CID 2837091) is N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is NNTOZVFUBINQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(12)3-5-9/h2-7H,1H3,(H,14,16).
What are the key properties of N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide?
N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 235.67 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 2837091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).