N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide

C24H16F6N4O — CID 153087365

IUPACN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C24H16F6N4O/c25-23(26,27)19-7-6-16(21(9-19)24(28,29)30)13-34-14-20(12-32-34)33-22(35)18-8-17(10-31-11-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,33,35)
InChIKeyVOLVUJHIUJYFTK-UHFFFAOYSA-N
MW490.41 g/mol
LogP6.28
Rot. Bonds5

About N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide

N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide (PubChem CID 153087365) has the molecular formula C24H16F6N4O and a molecular weight of 490.41 g/mol. Its IUPAC name is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide
PubChem CID153087365
Molecular FormulaC24H16F6N4O
Molecular Weight490.41 g/mol
Exact Mass490.12
IUPAC NameN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C24H16F6N4O/c25-23(26,27)19-7-6-16(21(9-19)24(28,29)30)13-34-14-20(12-32-34)33-22(35)18-8-17(10-31-11-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,33,35)
InChIKeyVOLVUJHIUJYFTK-UHFFFAOYSA-N
XLogP6.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.41
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 157022856
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(3-chloro-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 151929380
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 166629916
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
1,3-diphenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19281381
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447936
1-[(4-phenylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273520
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide (CID 153087365) is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide is O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide?
The InChIKey is VOLVUJHIUJYFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N4O/c25-23(26,27)19-7-6-16(21(9-19)24(28,29)30)13-34-14-20(12-32-34)33-22(35)18-8-17(10-31-11-18)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,33,35).
What are the key properties of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide?
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide has a molecular weight of 490.41 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 153087365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).