N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide

C12H10ClF2N3O — CID 19506728

IUPACN-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C12H10ClF2N3O/c1-7-2-3-8(13)6-9(7)17-11(19)10-4-5-16-18(10)12(14)15/h2-6,12H,1H3,(H,17,19)
InChIKeyUJXRKJMKSCUNGK-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.49
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide

N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19506728) has the molecular formula C12H10ClF2N3O and a molecular weight of 285.68 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19506728
Molecular FormulaC12H10ClF2N3O
Molecular Weight285.68 g/mol
Exact Mass285.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C12H10ClF2N3O/c1-7-2-3-8(13)6-9(7)17-11(19)10-4-5-16-18(10)12(14)15/h2-6,12H,1H3,(H,17,19)
InChIKeyUJXRKJMKSCUNGK-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19487885
N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 3461510
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19506795
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772
N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522694
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide (CID 19506728) is N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccnn1C(F)F.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is UJXRKJMKSCUNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O/c1-7-2-3-8(13)6-9(7)17-11(19)10-4-5-16-18(10)12(14)15/h2-6,12H,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide?
N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 285.68 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19506728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).