(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol

C14H18N2O2 — CID 79025674

IUPAC(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1cc(COc2cccc([C@@H](C)O)c2)n(C)n1
InChIInChI=1S/C14H18N2O2/c1-10-7-13(16(3)15-10)9-18-14-6-4-5-12(8-14)11(2)17/h4-8,11,17H,9H2,1-3H3/t11-/m1/s1
InChIKeyCSNJDOHNKFCAGI-LLVKDONJSA-N
MW246.31 g/mol
LogP2.36
Rot. Bonds4

About (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol

(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 79025674) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol
PubChem CID79025674
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1cc(COc2cccc([C@@H](C)O)c2)n(C)n1
InChIInChI=1S/C14H18N2O2/c1-10-7-13(16(3)15-10)9-18-14-6-4-5-12(8-14)11(2)17/h4-8,11,17H,9H2,1-3H3/t11-/m1/s1
InChIKeyCSNJDOHNKFCAGI-LLVKDONJSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104996199
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(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol (CID 79025674) is (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol is Cc1cc(COc2cccc([C@@H](C)O)c2)n(C)n1.
What is the InChIKey of (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is CSNJDOHNKFCAGI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-7-13(16(3)15-10)9-18-14-6-4-5-12(8-14)11(2)17/h4-8,11,17H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol?
(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79025674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).