N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C18H12F5N3O — CID 18208842

IUPACN-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F5N3O/c1-10-14(17(27)25-12-5-6-15(19)16(20)8-12)9-24-26(10)13-4-2-3-11(7-13)18(21,22)23/h2-9H,1H3,(H,25,27)
InChIKeyWYFHCKUELSZTCP-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.73
Rot. Bonds3

About N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 18208842) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID18208842
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC NameN-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F5N3O/c1-10-14(17(27)25-12-5-6-15(19)16(20)8-12)9-24-26(10)13-4-2-3-11(7-13)18(21,22)23/h2-9H,1H3,(H,25,27)
InChIKeyWYFHCKUELSZTCP-UHFFFAOYSA-N
XLogP4.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570
N-(4-bromo-3-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18267919
5-methyl-N-[4-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55788013
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36704113
methyl 2-[4-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55722962
5-methyl-N-[4-(propylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55893687
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-(2,6-diethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514572
5-methyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55700571
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-(2-ethyl-1,3-benzoxazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55957595
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 18208842) is N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(F)c2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is WYFHCKUELSZTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c1-10-14(17(27)25-12-5-6-15(19)16(20)8-12)9-24-26(10)13-4-2-3-11(7-13)18(21,22)23/h2-9H,1H3,(H,25,27).
What are the key properties of N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 18208842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).