2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide

C20H20FN3O2 — CID 51064444

IUPAC2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1ccc(Cn2nccc2NC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FN3O2/c1-14-3-5-16(6-4-14)13-24-19(11-12-22-24)23-20(25)15(2)26-18-9-7-17(21)8-10-18/h3-12,15H,13H2,1-2H3,(H,23,25)
InChIKeyKEGSKLUAYFFLRX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.78
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide

2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 51064444) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID51064444
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1ccc(Cn2nccc2NC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FN3O2/c1-14-3-5-16(6-4-14)13-24-19(11-12-22-24)23-20(25)15(2)26-18-9-7-17(21)8-10-18/h3-12,15H,13H2,1-2H3,(H,23,25)
InChIKeyKEGSKLUAYFFLRX-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)propanamide
CID 51248503
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 45155158
(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834957
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35673332

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide (CID 51064444) is 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide is Cc1ccc(Cn2nccc2NC(=O)C(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is KEGSKLUAYFFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14-3-5-16(6-4-14)13-24-19(11-12-22-24)23-20(25)15(2)26-18-9-7-17(21)8-10-18/h3-12,15H,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 51064444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).