N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide

C26H23F2N3O2 — CID 67997432

IUPACN-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCc3cccc(F)c3F)cc2-c2ccccc2)cc1
InChIInChI=1S/C26H23F2N3O2/c1-33-22-13-11-21(12-14-22)31-24(18-6-3-2-4-7-18)16-20(30-31)10-15-25(32)29-17-19-8-5-9-23(27)26(19)28/h2-9,11-14,16H,10,15,17H2,1H3,(H,29,32)
InChIKeyWOUXFEGRZMYJTB-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.08
Rot. Bonds8

About N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide

N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide (PubChem CID 67997432) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide
PubChem CID67997432
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCc3cccc(F)c3F)cc2-c2ccccc2)cc1
InChIInChI=1S/C26H23F2N3O2/c1-33-22-13-11-21(12-14-22)31-24(18-6-3-2-4-7-18)16-20(30-31)10-15-25(32)29-17-19-8-5-9-23(27)26(19)28/h2-9,11-14,16H,10,15,17H2,1H3,(H,29,32)
InChIKeyWOUXFEGRZMYJTB-UHFFFAOYSA-N
XLogP5.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603107
N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603283
N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56602729
N-[(6-chloro-3-pyridinyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603288
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylethyl)propanamide
CID 54767898
3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
CID 67998342
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide
CID 54767742
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]propanamide
CID 123825300
N-[1-(3-fluoro-5-methylphenyl)-2-(methylamino)-2-oxoethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 54765674
N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(2-methylpropoxy)phenyl]pyrazol-3-yl]propanamide
CID 67997587
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 154068932
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide (CID 67997432) is N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide is COc1ccc(-n2nc(CCC(=O)NCc3cccc(F)c3F)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide?
The InChIKey is WOUXFEGRZMYJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c1-33-22-13-11-21(12-14-22)31-24(18-6-3-2-4-7-18)16-20(30-31)10-15-25(32)29-17-19-8-5-9-23(27)26(19)28/h2-9,11-14,16H,10,15,17H2,1H3,(H,29,32).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide?
N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide has a molecular weight of 447.49 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide is sourced from PubChem (CID 67997432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).