3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide

C26H20F2N6O — CID 134133025

IUPAC3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H20F2N6O/c27-20-10-6-18(7-11-20)15-33-16-22(30-32-33)14-29-26(35)24-17-34(23-4-2-1-3-5-23)31-25(24)19-8-12-21(28)13-9-19/h1-13,16-17H,14-15H2,(H,29,35)
InChIKeyQJWGZNXQYGKXDB-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.39
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 134133025) has the molecular formula C26H20F2N6O and a molecular weight of 470.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID134133025
Molecular FormulaC26H20F2N6O
Molecular Weight470.48 g/mol
Exact Mass470.17
IUPAC Name3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H20F2N6O/c27-20-10-6-18(7-11-20)15-33-16-22(30-32-33)14-29-26(35)24-17-34(23-4-2-1-3-5-23)31-25(24)19-8-12-21(28)13-9-19/h1-13,16-17H,14-15H2,(H,29,35)
InChIKeyQJWGZNXQYGKXDB-UHFFFAOYSA-N
XLogP4.39
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389725
N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389971
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
CID 155557232
CID 155557232
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 1763093
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 4577554

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide (CID 134133025) is 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide is O=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is QJWGZNXQYGKXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O/c27-20-10-6-18(7-11-20)15-33-16-22(30-32-33)14-29-26(35)24-17-34(23-4-2-1-3-5-23)31-25(24)19-8-12-21(28)13-9-19/h1-13,16-17H,14-15H2,(H,29,35).
What are the key properties of 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 134133025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).