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

C20H17F4N3O — CID 30766739

IUPACN-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(F)cc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F4N3O/c1-13-18(19(28)26(2)12-14-6-8-16(21)9-7-14)11-25-27(13)17-5-3-4-15(10-17)20(22,23)24/h3-11H,12H2,1-2H3
InChIKeyDLJFWOPWMAQKNN-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.61
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 30766739) has the molecular formula C20H17F4N3O and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID30766739
Molecular FormulaC20H17F4N3O
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(F)cc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F4N3O/c1-13-18(19(28)26(2)12-14-6-8-16(21)9-7-14)11-25-27(13)17-5-3-4-15(10-17)20(22,23)24/h3-11H,12H2,1-2H3
InChIKeyDLJFWOPWMAQKNN-UHFFFAOYSA-N
XLogP4.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30767127
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46565770
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55512862
N-[(4-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55395584
N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 78850481
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
2-methyl-2-[methyl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119200825
N-(1-ethylpiperidin-4-yl)-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86989029
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39862153
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55583430
N-ethyl-5-methyl-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55513631

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 30766739) is N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(F)cc2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is DLJFWOPWMAQKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O/c1-13-18(19(28)26(2)12-14-6-8-16(21)9-7-14)11-25-27(13)17-5-3-4-15(10-17)20(22,23)24/h3-11H,12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 30766739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).