1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide

C24H20FN3O2 — CID 16925655

IUPAC1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cn(Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C24H20FN3O2/c25-21-13-7-8-14-22(21)26-23(29)20-16-28(15-18-9-3-1-4-10-18)27-24(20)30-17-19-11-5-2-6-12-19/h1-14,16H,15,17H2,(H,26,29)
InChIKeyIYPOEBLTCRLXIW-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.90
Rot. Bonds7

About 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide

1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide (PubChem CID 16925655) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
PubChem CID16925655
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cn(Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C24H20FN3O2/c25-21-13-7-8-14-22(21)26-23(29)20-16-28(15-18-9-3-1-4-10-18)27-24(20)30-17-19-11-5-2-6-12-19/h1-14,16H,15,17H2,(H,26,29)
InChIKeyIYPOEBLTCRLXIW-UHFFFAOYSA-N
XLogP4.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.90
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
1-benzyl-N-(4-ethylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925653
1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925719
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925775
N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925798
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925804
N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925916
1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
CID 16925628
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
CID 9209390
(4-benzylpiperazin-1-yl)-[3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925732
1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
CID 16925716
N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide (CID 16925655) is 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide is O=C(Nc1ccccc1F)c1cn(Cc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is IYPOEBLTCRLXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c25-21-13-7-8-14-22(21)26-23(29)20-16-28(15-18-9-3-1-4-10-18)27-24(20)30-17-19-11-5-2-6-12-19/h1-14,16H,15,17H2,(H,26,29).
What are the key properties of 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide?
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 16925655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).