1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone

C13H14N2O2 — CID 7032172

IUPAC1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1nccc1[C@@H](C)Oc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10(17-12-6-4-3-5-7-12)13-8-9-14-15(13)11(2)16/h3-10H,1-2H3/t10-/m1/s1
InChIKeyWYZYDJRUMCONEN-SNVBAGLBSA-N
MW230.27 g/mol
LogP2.68
Rot. Bonds3

About 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone

1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone (PubChem CID 7032172) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone
PubChem CID7032172
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1nccc1[C@@H](C)Oc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10(17-12-6-4-3-5-7-12)13-8-9-14-15(13)11(2)16/h3-10H,1-2H3/t10-/m1/s1
InChIKeyWYZYDJRUMCONEN-SNVBAGLBSA-N
XLogP2.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[1-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-1-yl]ethanone
CID 2764698
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
1-phenoxypropane-1,2-diol
CID 22140567
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
2-methylprop-2-enoic acid;1-phenoxyethanol
CID 67581727
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
1-phenoxyethanol
CID 66611531
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
2-methylidene-3-phenoxybutanoic acid
CID 21464511

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone (CID 7032172) is 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone is CC(=O)n1nccc1[C@@H](C)Oc1ccccc1.
What is the InChIKey of 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone?
The InChIKey is WYZYDJRUMCONEN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(17-12-6-4-3-5-7-12)13-8-9-14-15(13)11(2)16/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone?
1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 7032172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).