N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide

C25H19F4N3O2 — CID 16925916

IUPACN-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1
InChIInChI=1S/C25H19F4N3O2/c26-18-6-1-4-16(10-18)13-32-14-21(24(33)30-12-20-22(28)8-3-9-23(20)29)25(31-32)34-15-17-5-2-7-19(27)11-17/h1-11,14H,12-13,15H2,(H,30,33)
InChIKeyWQFXBLSIVLSGGH-UHFFFAOYSA-N
MW469.44 g/mol
LogP5.00
Rot. Bonds8

About N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide

N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 16925916) has the molecular formula C25H19F4N3O2 and a molecular weight of 469.44 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID16925916
Molecular FormulaC25H19F4N3O2
Molecular Weight469.44 g/mol
Exact Mass469.14
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1
InChIInChI=1S/C25H19F4N3O2/c26-18-6-1-4-16(10-18)13-32-14-21(24(33)30-12-20-22(28)8-3-9-23(20)29)25(31-32)34-15-17-5-2-7-19(27)11-17/h1-11,14H,12-13,15H2,(H,30,33)
InChIKeyWQFXBLSIVLSGGH-UHFFFAOYSA-N
XLogP5.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925880
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
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655
1-benzyl-N-(4-ethylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925653
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19401112
3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 40934889
1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
CID 16925716
N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925798
2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
CID 117234298
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925804

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide (CID 16925916) is N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide is O=C(NCc1c(F)cccc1F)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is WQFXBLSIVLSGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O2/c26-18-6-1-4-16(10-18)13-32-14-21(24(33)30-12-20-22(28)8-3-9-23(20)29)25(31-32)34-15-17-5-2-7-19(27)11-17/h1-11,14H,12-13,15H2,(H,30,33).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 469.44 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16925916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).