1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H18F4N8O — CID 146081871

IUPAC1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C21H18F4N8O/c22-13-4-6-15(7-5-13)33-19(21(23,24)25)16(10-27-33)20(34)28-14-9-26-31(11-14)12-18-30-29-17-3-1-2-8-32(17)18/h4-7,9-11H,1-3,8,12H2,(H,28,34)
InChIKeyUFBNZSSRHSXUDO-UHFFFAOYSA-N
MW474.42 g/mol
LogP3.46
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146081871) has the molecular formula C21H18F4N8O and a molecular weight of 474.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146081871
Molecular FormulaC21H18F4N8O
Molecular Weight474.42 g/mol
Exact Mass474.15
IUPAC Name1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C21H18F4N8O/c22-13-4-6-15(7-5-13)33-19(21(23,24)25)16(10-27-33)20(34)28-14-9-26-31(11-14)12-18-30-29-17-3-1-2-8-32(17)18/h4-7,9-11H,1-3,8,12H2,(H,28,34)
InChIKeyUFBNZSSRHSXUDO-UHFFFAOYSA-N
XLogP3.46
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]acetamide
CID 166219106
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55549504
3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide
CID 136537089
4-[[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]amino]methyl]benzoic acid
CID 122033581
4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 136537092
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455
N-[4-(azepan-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465714
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31784434
N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31687955
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31810667
4-fluoro-N-[2-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]benzamide
CID 29154126
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146081871) is 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UFBNZSSRHSXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N8O/c22-13-4-6-15(7-5-13)33-19(21(23,24)25)16(10-27-33)20(34)28-14-9-26-31(11-14)12-18-30-29-17-3-1-2-8-32(17)18/h4-7,9-11H,1-3,8,12H2,(H,28,34).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 474.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146081871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).