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

C18H13F4N3O — CID 138694042

IUPACN-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(F)c(F)cc2-c2cccc(F)c2)c(CF)n1
InChIInChI=1S/C18H13F4N3O/c1-25-9-13(17(8-19)24-25)18(26)23-16-7-15(22)14(21)6-12(16)10-3-2-4-11(20)5-10/h2-7,9H,8H2,1H3,(H,23,26)
InChIKeyDEBZHNCHTKUAMR-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.23
Rot. Bonds4

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

N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 138694042) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID138694042
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC NameN-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(F)c(F)cc2-c2cccc(F)c2)c(CF)n1
InChIInChI=1S/C18H13F4N3O/c1-25-9-13(17(8-19)24-25)18(26)23-16-7-15(22)14(21)6-12(16)10-3-2-4-11(20)5-10/h2-7,9H,8H2,1H3,(H,23,26)
InChIKeyDEBZHNCHTKUAMR-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 69049578
3-(difluoromethyl)-N-[2-fluoro-6-(3-fluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 162541328
3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
CID 105423819
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712
3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 141375746
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-[2-[4-(3,3-dimethylbut-1-ynyl)phenyl]phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide;molecular fluorine
CID 91142413
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66917224
N-(2,3-dichloro-4-fluoro-6-phenylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 123339665
4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide
CID 91542727

Frequently Asked Questions

What is the IUPAC name of N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide (CID 138694042) is N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cc(F)c(F)cc2-c2cccc(F)c2)c(CF)n1.
What is the InChIKey of N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is DEBZHNCHTKUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-25-9-13(17(8-19)24-25)18(26)23-16-7-15(22)14(21)6-12(16)10-3-2-4-11(20)5-10/h2-7,9H,8H2,1H3,(H,23,26).
What are the key properties of N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 363.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 138694042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).