N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide

C18H14ClF2N3O — CID 69049578

IUPACN-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2cc(F)cc(Cl)c2)c(CF)n1
InChIInChI=1S/C18H14ClF2N3O/c1-24-10-15(17(9-20)23-24)18(25)22-16-5-3-2-4-14(16)11-6-12(19)8-13(21)7-11/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyGQXMUHGWCRRIBB-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.60
Rot. Bonds4

About N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide

N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 69049578) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID69049578
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC NameN-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2cc(F)cc(Cl)c2)c(CF)n1
InChIInChI=1S/C18H14ClF2N3O/c1-24-10-15(17(9-20)23-24)18(25)22-16-5-3-2-4-14(16)11-6-12(19)8-13(21)7-11/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyGQXMUHGWCRRIBB-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 138694042
N-[2-[4-(3,3-dimethylbut-1-ynyl)phenyl]phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide;molecular fluorine
CID 91142413
N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
CID 143363894
3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 68910253
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250
N-[2-(5-chloro-2-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68915098
3-[dichloro(fluoro)methyl]-N-[2-(3,4-dichlorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 67374092
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 57466155
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
1-methyl-N-[2-(3-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150231794

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide (CID 69049578) is N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2cc(F)cc(Cl)c2)c(CF)n1.
What is the InChIKey of N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is GQXMUHGWCRRIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c1-24-10-15(17(9-20)23-24)18(25)22-16-5-3-2-4-14(16)11-6-12(19)8-13(21)7-11/h2-8,10H,9H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 361.78 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 69049578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).