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

C12H13ClN2O2 — CID 116793012

IUPAC1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCC(O)c1ccc(Oc2cnn(C)c2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c1-8(16)9-3-4-12(11(13)5-9)17-10-6-14-15(2)7-10/h3-8,16H,1-2H3
InChIKeyJMRMCFVFAVBEIB-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.92
Rot. Bonds3

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

1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol (PubChem CID 116793012) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
PubChem CID116793012
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCC(O)c1ccc(Oc2cnn(C)c2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c1-8(16)9-3-4-12(11(13)5-9)17-10-6-14-15(2)7-10/h3-8,16H,1-2H3
InChIKeyJMRMCFVFAVBEIB-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893471
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801948
4-[2-chloro-4-(chloromethyl)phenoxy]-1-methylpyrazole
CID 116793035
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol
CID 62911183
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol (CID 116793012) is 1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol is CC(O)c1ccc(Oc2cnn(C)c2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol?
The InChIKey is JMRMCFVFAVBEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8(16)9-3-4-12(11(13)5-9)17-10-6-14-15(2)7-10/h3-8,16H,1-2H3.
What are the key properties of 1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol?
1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol has a molecular weight of 252.70 g/mol, XLogP of 2.92, 3 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-methylpyrazol-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 116793012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).