1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol

C13H15ClN2O2 — CID 105082685

IUPAC1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)COc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H15ClN2O2/c1-16-8-10(7-15-16)5-12(17)9-18-13-4-2-3-11(14)6-13/h2-4,6-8,12,17H,5,9H2,1H3
InChIKeyJAEBGZJNZKOYMW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.06
Rot. Bonds5

About 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol

1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 105082685) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID105082685
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)COc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H15ClN2O2/c1-16-8-10(7-15-16)5-12(17)9-18-13-4-2-3-11(14)6-13/h2-4,6-8,12,17H,5,9H2,1H3
InChIKeyJAEBGZJNZKOYMW-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779141
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025590
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 105109087
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole
CID 66050323
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
4-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292411
1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 63895824
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
CID 105132612

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol (CID 105082685) is 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(CC(O)COc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is JAEBGZJNZKOYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-16-8-10(7-15-16)5-12(17)9-18-13-4-2-3-11(14)6-13/h2-4,6-8,12,17H,5,9H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol?
1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 266.73 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 105082685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).