3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide

C20H20FN3O2 — CID 42850362

IUPAC3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F
InChIInChI=1S/C20H20FN3O2/c1-22-18(25)13-12-15-19(14-8-4-3-5-9-14)23-24(2)20(15)26-17-11-7-6-10-16(17)21/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyPOULOQZFEYAXRI-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.70
Rot. Bonds6

About 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide

3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide (PubChem CID 42850362) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide
PubChem CID42850362
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F
InChIInChI=1S/C20H20FN3O2/c1-22-18(25)13-12-15-19(14-8-4-3-5-9-14)23-24(2)20(15)26-17-11-7-6-10-16(17)21/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyPOULOQZFEYAXRI-UHFFFAOYSA-N
XLogP3.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 46042321
N-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51069148
N-(cyclopropylmethyl)-N-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]benzamide
CID 46139741
2-chloro-N-(cyclopropylmethyl)-N-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069185
[(2S)-3-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-2-hydroxypropyl] butanoate
CID 93219440
1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 93136212
3-fluoro-N-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51069150
(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
CID 93219452
3-[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]propanoic acid
CID 46042318
[(2R)-3-[cyclopropylmethyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-2-hydroxypropyl] butanoate
CID 93219515
(2S)-1-ethoxy-3-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 93219444
1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 46026361

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide (CID 42850362) is 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide is CNC(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F.
What is the InChIKey of 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide?
The InChIKey is POULOQZFEYAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-22-18(25)13-12-15-19(14-8-4-3-5-9-14)23-24(2)20(15)26-17-11-7-6-10-16(17)21/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide?
3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide has a molecular weight of 353.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]-N-methylpropanamide is sourced from PubChem (CID 42850362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).