1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C14H17ClN2O2 — CID 2876017

IUPAC1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2O2/c1-10-7-11(2)17(16-10)8-13(18)9-19-14-5-3-12(15)4-6-14/h3-7,13,18H,8-9H2,1-2H3
InChIKeyMEYUMIPEDPRSSE-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.59
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 2876017) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID2876017
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2O2/c1-10-7-11(2)17(16-10)8-13(18)9-19-14-5-3-12(15)4-6-14/h3-7,13,18H,8-9H2,1-2H3
InChIKeyMEYUMIPEDPRSSE-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 2876017) is 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is MEYUMIPEDPRSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-7-11(2)17(16-10)8-13(18)9-19-14-5-3-12(15)4-6-14/h3-7,13,18H,8-9H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 280.75 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 2876017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).