3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

C20H20FN3O — CID 45195370

IUPAC3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1F)NCCc1cn[nH]c1
InChIInChI=1S/C20H20FN3O/c21-19-9-5-4-8-17(19)18(16-6-2-1-3-7-16)12-20(25)22-11-10-15-13-23-24-14-15/h1-9,13-14,18H,10-12H2,(H,22,25)(H,23,24)
InChIKeyGNESYNXRTZIVPW-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.43
Rot. Bonds7

About 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 45195370) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID45195370
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1F)NCCc1cn[nH]c1
InChIInChI=1S/C20H20FN3O/c21-19-9-5-4-8-17(19)18(16-6-2-1-3-7-16)12-20(25)22-11-10-15-13-23-24-14-15/h1-9,13-14,18H,10-12H2,(H,22,25)(H,23,24)
InChIKeyGNESYNXRTZIVPW-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
(S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-trifluoroethylamino)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methylpentanamide
CID 52945985
4-Fluoro-N-[1-(3-phenyl-1H-pyrazol-4-yl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-benzamide
CID 135517068
(4-cyclobutylpiperazin-1-yl)-[(1S)-2-[4-(1H-pyrazol-4-yl)phenyl]cyclopropyl]methanone
CID 57618982
US11479533, Example 12
CID 137425585
US11479533, Example 15
CID 137425587
US11479533, Example 19
CID 137425598
US11479533, Example 18
CID 137425635
3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide
CID 156562807

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (CID 45195370) is 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is O=C(CC(c1ccccc1)c1ccccc1F)NCCc1cn[nH]c1.
What is the InChIKey of 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is GNESYNXRTZIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-19-9-5-4-8-17(19)18(16-6-2-1-3-7-16)12-20(25)22-11-10-15-13-23-24-14-15/h1-9,13-14,18H,10-12H2,(H,22,25)(H,23,24).
What are the key properties of 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 337.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 45195370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).