N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide

C24H18F3N3O2 — CID 16925880

IUPACN-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1
InChIInChI=1S/C24H18F3N3O2/c25-18-7-3-5-16(11-18)13-30-14-20(23(31)28-22-10-2-1-9-21(22)27)24(29-30)32-15-17-6-4-8-19(26)12-17/h1-12,14H,13,15H2,(H,28,31)
InChIKeyQGGOXXXGPNKNKX-UHFFFAOYSA-N
MW437.42 g/mol
LogP5.18
Rot. Bonds7

About N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide

N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 16925880) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID16925880
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC NameN-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1
InChIInChI=1S/C24H18F3N3O2/c25-18-7-3-5-16(11-18)13-30-14-20(23(31)28-22-10-2-1-9-21(22)27)24(29-30)32-15-17-6-4-8-19(26)12-17/h1-12,14H,13,15H2,(H,28,31)
InChIKeyQGGOXXXGPNKNKX-UHFFFAOYSA-N
XLogP5.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655
N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925916
N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925894
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925775
(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925835
N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925798
1-benzyl-N-(4-ethylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925653
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925804
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
CID 9209390
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925719
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19401112

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide (CID 16925880) is N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide is O=C(Nc1ccccc1F)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1.
What is the InChIKey of N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is QGGOXXXGPNKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c25-18-7-3-5-16(11-18)13-30-14-20(23(31)28-22-10-2-1-9-21(22)27)24(29-30)32-15-17-6-4-8-19(26)12-17/h1-12,14H,13,15H2,(H,28,31).
What are the key properties of N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16925880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).