1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone

C11H10N2O2 — CID 115022510

IUPAC1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2cn[nH]c2)c1
InChIInChI=1S/C11H10N2O2/c1-8(14)9-3-2-4-10(5-9)15-11-6-12-13-7-11/h2-7H,1H3,(H,12,13)
InChIKeyDPXPJEJCDAVCCM-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.40
Rot. Bonds3

About 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone

1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone (PubChem CID 115022510) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone
PubChem CID115022510
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2cn[nH]c2)c1
InChIInChI=1S/C11H10N2O2/c1-8(14)9-3-2-4-10(5-9)15-11-6-12-13-7-11/h2-7H,1H3,(H,12,13)
InChIKeyDPXPJEJCDAVCCM-UHFFFAOYSA-N
XLogP2.40
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)methyl 1H-pyrazole-4-carboxylate
CID 155518135
1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone
CID 21480354
3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde
CID 118686116
3-(1H-pyrazol-4-yloxy)-5-(trifluoromethoxy)benzaldehyde
CID 171067042
3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde
CID 171067208
3-(1H-pyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
CID 172716694
2-(1H-pyrazol-4-yl)ethyl 2-fluoro-3-methoxybenzoate
CID 75435186
4-[3-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233513
4-methyl-1H-pyrazole;3-(trifluoromethoxy)benzamide
CID 161505558
(5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone
CID 14674015
1H-pyrazol-4-yl benzoate
CID 17807014
3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide
CID 68756298

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone?
The IUPAC name of 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone (CID 115022510) is 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone is CC(=O)c1cccc(Oc2cn[nH]c2)c1.
What is the InChIKey of 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone?
The InChIKey is DPXPJEJCDAVCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8(14)9-3-2-4-10(5-9)15-11-6-12-13-7-11/h2-7H,1H3,(H,12,13).
What are the key properties of 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone?
1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone has a molecular weight of 202.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-4-yloxy)phenyl]ethanone is sourced from PubChem (CID 115022510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).