2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide

C18H17N3O2 — CID 42958308

IUPAC2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C18H17N3O2/c1-13(23-16-8-3-2-4-9-16)18(22)20-15-7-5-6-14(12-15)17-10-11-19-21-17/h2-13H,1H3,(H,19,21)(H,20,22)
InChIKeyNSGLMXDJOZBZLU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.48
Rot. Bonds5

About 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide

2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide (PubChem CID 42958308) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
PubChem CID42958308
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C18H17N3O2/c1-13(23-16-8-3-2-4-9-16)18(22)20-15-7-5-6-14(12-15)17-10-11-19-21-17/h2-13H,1H3,(H,19,21)(H,20,22)
InChIKeyNSGLMXDJOZBZLU-UHFFFAOYSA-N
XLogP3.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 670007
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CID 22479879
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
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N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1107338
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
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N-methyl-3-(2-phenoxypropanoylamino)benzamide
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(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide (CID 42958308) is 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide?
The InChIKey is NSGLMXDJOZBZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(23-16-8-3-2-4-9-16)18(22)20-15-7-5-6-14(12-15)17-10-11-19-21-17/h2-13H,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide?
2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide has a molecular weight of 307.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 42958308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).