[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol

C17H24N2O2 — CID 23159864

IUPAC[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol
SMILESCc1cc(C)n(Cc2cc(CO)ccc2OCC(C)C)n1
InChIInChI=1S/C17H24N2O2/c1-12(2)11-21-17-6-5-15(10-20)8-16(17)9-19-14(4)7-13(3)18-19/h5-8,12,20H,9-11H2,1-4H3
InChIKeyKCUCGPTYOVOJQK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.08
Rot. Bonds6

About [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol

[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol (PubChem CID 23159864) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol
PubChem CID23159864
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol
SMILESCc1cc(C)n(Cc2cc(CO)ccc2OCC(C)C)n1
InChIInChI=1S/C17H24N2O2/c1-12(2)11-21-17-6-5-15(10-20)8-16(17)9-19-14(4)7-13(3)18-19/h5-8,12,20H,9-11H2,1-4H3
InChIKeyKCUCGPTYOVOJQK-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol?
The IUPAC name of [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol (CID 23159864) is [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol.
What is the SMILES notation for [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol?
The canonical SMILES for [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol is Cc1cc(C)n(Cc2cc(CO)ccc2OCC(C)C)n1.
What is the InChIKey of [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol?
The InChIKey is KCUCGPTYOVOJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)11-21-17-6-5-15(10-20)8-16(17)9-19-14(4)7-13(3)18-19/h5-8,12,20H,9-11H2,1-4H3.
What are the key properties of [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol?
[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol has a molecular weight of 288.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methylpropoxy)phenyl]methanol is sourced from PubChem (CID 23159864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).