1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol

C13H15ClN2O2 — CID 116801948

IUPAC1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCCn1cc(Oc2ccc(C(C)O)cc2Cl)cn1
InChIInChI=1S/C13H15ClN2O2/c1-3-16-8-11(7-15-16)18-13-5-4-10(9(2)17)6-12(13)14/h4-9,17H,3H2,1-2H3
InChIKeyZVUYFENYKJQTJZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.40
Rot. Bonds4

About 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol

1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol (PubChem CID 116801948) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
PubChem CID116801948
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCCn1cc(Oc2ccc(C(C)O)cc2Cl)cn1
InChIInChI=1S/C13H15ClN2O2/c1-3-16-8-11(7-15-16)18-13-5-4-10(9(2)17)6-12(13)14/h4-9,17H,3H2,1-2H3
InChIKeyZVUYFENYKJQTJZ-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
CID 116793012
(1R)-1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893471
[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
CID 116801961
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802209
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 116802117
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801944
(E)-3-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]prop-2-enoic acid
CID 116802431
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116802102
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol (CID 116801948) is 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol is CCn1cc(Oc2ccc(C(C)O)cc2Cl)cn1.
What is the InChIKey of 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol?
The InChIKey is ZVUYFENYKJQTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-16-8-11(7-15-16)18-13-5-4-10(9(2)17)6-12(13)14/h4-9,17H,3H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol?
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol has a molecular weight of 266.73 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 116801948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).