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

C19H18FN3O — CID 17400567

IUPAC2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C19H18FN3O/c20-18-8-3-5-15(11-18)12-19(24)21-13-16-6-1-2-7-17(16)14-23-10-4-9-22-23/h1-11H,12-14H2,(H,21,24)
InChIKeyJHCDVUGYVXDFBX-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.93
Rot. Bonds6

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

2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 17400567) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID17400567
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C19H18FN3O/c20-18-8-3-5-15(11-18)12-19(24)21-13-16-6-1-2-7-17(16)14-23-10-4-9-22-23/h1-11H,12-14H2,(H,21,24)
InChIKeyJHCDVUGYVXDFBX-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.93
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
6-(3-aminopropyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443524
Gsk-5498A
CID 46945384
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
CID 72195464
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
CID 118524377
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide
CID 118714367
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2,2-diphenylacetamide
CID 2225156
N-(1-benzyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 6458316

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 17400567) is 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cc1cccc(F)c1)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is JHCDVUGYVXDFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-18-8-3-5-15(11-18)12-19(24)21-13-16-6-1-2-7-17(16)14-23-10-4-9-22-23/h1-11H,12-14H2,(H,21,24).
What are the key properties of 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17400567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).