[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol

C17H24N2O2 — CID 43351940

IUPAC[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1cc(C(C)(C)C)ccc1Oc1c(CO)c(C)nn1C
InChIInChI=1S/C17H24N2O2/c1-11-9-13(17(3,4)5)7-8-15(11)21-16-14(10-20)12(2)18-19(16)6/h7-9,20H,10H2,1-6H3
InChIKeyBUHVHMUIRATYJQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.62
Rot. Bonds3

About [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol

[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 43351940) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID43351940
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1cc(C(C)(C)C)ccc1Oc1c(CO)c(C)nn1C
InChIInChI=1S/C17H24N2O2/c1-11-9-13(17(3,4)5)7-8-15(11)21-16-14(10-20)12(2)18-19(16)6/h7-9,20H,10H2,1-6H3
InChIKeyBUHVHMUIRATYJQ-UHFFFAOYSA-N
XLogP3.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 102989934
[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 63269563
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43479792
[1,3-dimethyl-5-(4-methyl-2-nitrophenoxy)pyrazol-4-yl]methanol
CID 61311454
[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964156
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
[5-(2-methoxy-4-nitrophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 62111459
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
[5-(4,5-dichloro-2-nitrophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 107500283
N-[[5-(4-bromo-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 63216713

Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (CID 43351940) is [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is Cc1cc(C(C)(C)C)ccc1Oc1c(CO)c(C)nn1C.
What is the InChIKey of [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is BUHVHMUIRATYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-9-13(17(3,4)5)7-8-15(11)21-16-14(10-20)12(2)18-19(16)6/h7-9,20H,10H2,1-6H3.
What are the key properties of [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 288.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 43351940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).