N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C14H10F4N6O — CID 19508284

IUPACN-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2F)n1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H10F4N6O/c15-9-4-2-1-3-8(9)6-24-7-19-13(23-24)20-12(25)10-5-11(22-21-10)14(16,17)18/h1-5,7H,6H2,(H,21,22)(H,20,23,25)
InChIKeyGUSLKEDRTZFNFC-UHFFFAOYSA-N
MW354.27 g/mol
LogP2.46
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508284) has the molecular formula C14H10F4N6O and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508284
Molecular FormulaC14H10F4N6O
Molecular Weight354.27 g/mol
Exact Mass354.09
IUPAC NameN-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2F)n1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H10F4N6O/c15-9-4-2-1-3-8(9)6-24-7-19-13(23-24)20-12(25)10-5-11(22-21-10)14(16,17)18/h1-5,7H,6H2,(H,21,22)(H,20,23,25)
InChIKeyGUSLKEDRTZFNFC-UHFFFAOYSA-N
XLogP2.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477053
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19270619
5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451371
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19270311
N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509200
N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 4867176
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514005
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19516666
N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 35528007
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19531688
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461130

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508284) is N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ncn(Cc2ccccc2F)n1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GUSLKEDRTZFNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N6O/c15-9-4-2-1-3-8(9)6-24-7-19-13(23-24)20-12(25)10-5-11(22-21-10)14(16,17)18/h1-5,7H,6H2,(H,21,22)(H,20,23,25).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).