N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H13F4N3O — CID 31687955

IUPACN-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C18H13F4N3O/c19-13-6-8-14(9-7-13)25-16(18(20,21)22)15(11-24-25)17(26)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,23,26)
InChIKeyNZBKZBRVICHGTJ-UHFFFAOYSA-N
MW363.31 g/mol
LogP3.96
Rot. Bonds4

About N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 31687955) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID31687955
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC NameN-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C18H13F4N3O/c19-13-6-8-14(9-7-13)25-16(18(20,21)22)15(11-24-25)17(26)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,23,26)
InChIKeyNZBKZBRVICHGTJ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18226723
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 87446352
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155530054
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31810667
1-(4-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767998
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46666819
N-[3-[benzyl(methyl)amino]propyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46549460
1-(4-chlorophenyl)-N-[[4-(ethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46597950
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 50904512
1-(4-methylphenyl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 60532448
1-(4-chlorophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46480448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 31687955) is N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NZBKZBRVICHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c19-13-6-8-14(9-7-13)25-16(18(20,21)22)15(11-24-25)17(26)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,23,26).
What are the key properties of N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 363.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 31687955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).