2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

C19H19N3O2 — CID 86929818

IUPAC2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H19N3O2/c1-15(24-18-9-3-2-4-10-18)19(23)21-17-8-5-7-16(13-17)14-22-12-6-11-20-22/h2-13,15H,14H2,1H3,(H,21,23)
InChIKeyTYIXQSGSBUHZEZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds6

About 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 86929818) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID86929818
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H19N3O2/c1-15(24-18-9-3-2-4-10-18)19(23)21-17-8-5-7-16(13-17)14-22-12-6-11-20-22/h2-13,15H,14H2,1H3,(H,21,23)
InChIKeyTYIXQSGSBUHZEZ-UHFFFAOYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46424038
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55619442
(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 95309999
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 92613321
N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629793
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
CID 86831517
1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51946427

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 86929818) is 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is TYIXQSGSBUHZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-15(24-18-9-3-2-4-10-18)19(23)21-17-8-5-7-16(13-17)14-22-12-6-11-20-22/h2-13,15H,14H2,1H3,(H,21,23).
What are the key properties of 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 86929818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).