3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

C20H20FN3O — CID 31954445

IUPAC3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H20FN3O/c21-19-9-6-16(7-10-19)8-11-20(25)22-14-17-4-1-2-5-18(17)15-24-13-3-12-23-24/h1-7,9-10,12-13H,8,11,14-15H2,(H,22,25)
InChIKeyVBZUAMHYSDBOSY-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.32
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 31954445) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID31954445
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H20FN3O/c21-19-9-6-16(7-10-19)8-11-20(25)22-14-17-4-1-2-5-18(17)15-24-13-3-12-23-24/h1-7,9-10,12-13H,8,11,14-15H2,(H,22,25)
InChIKeyVBZUAMHYSDBOSY-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(1H-pyrazol-1-ylmethyl)-1,4-diazepan-2-one
CID 23646452
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
N-[2-(1-phenyl-1H-pyrazol-3-yl)ethyl]cyclohexanecarboxamide
CID 47092747
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
Gsk-5498A
CID 46945384
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195322
N-hydroxy-7-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]heptanamide
CID 72195459
N-hydroxy-6-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]hexanamide
CID 72195460
5-[1-[(2,4-difluorophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
CID 72195463
5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
CID 72195464
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
CID 118524377

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (CID 31954445) is 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCc1ccc(F)cc1)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is VBZUAMHYSDBOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-19-9-6-16(7-10-19)8-11-20(25)22-14-17-4-1-2-5-18(17)15-24-13-3-12-23-24/h1-7,9-10,12-13H,8,11,14-15H2,(H,22,25).
What are the key properties of 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 337.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 31954445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).