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

C19H11F5N6O — CID 154806907

IUPAC1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ncn[nH]2)cc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C19H11F5N6O/c20-11-2-4-12(5-3-11)30-16(19(22,23)24)13(8-27-30)18(31)28-15-6-1-10(7-14(15)21)17-25-9-26-29-17/h1-9H,(H,28,31)(H,25,26,29)
InChIKeyBQIXLZILQCAZCI-UHFFFAOYSA-N
MW434.33 g/mol
LogP4.21
Rot. Bonds4

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

1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 154806907) has the molecular formula C19H11F5N6O and a molecular weight of 434.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID154806907
Molecular FormulaC19H11F5N6O
Molecular Weight434.33 g/mol
Exact Mass434.09
IUPAC Name1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ncn[nH]2)cc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C19H11F5N6O/c20-11-2-4-12(5-3-11)30-16(19(22,23)24)13(8-27-30)18(31)28-15-6-1-10(7-14(15)21)17-25-9-26-29-17/h1-9H,(H,28,31)(H,25,26,29)
InChIKeyBQIXLZILQCAZCI-UHFFFAOYSA-N
XLogP4.21
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-methylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55463902
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455
N-(4-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39982766
1-(4-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91039946
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31784434
1-(4-chlorophenyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827946
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
1-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90928285
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55856740
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24572985
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 154806907) is 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(-c2ncn[nH]2)cc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BQIXLZILQCAZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N6O/c20-11-2-4-12(5-3-11)30-16(19(22,23)24)13(8-27-30)18(31)28-15-6-1-10(7-14(15)21)17-25-9-26-29-17/h1-9H,(H,28,31)(H,25,26,29).
What are the key properties of 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 434.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154806907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).