[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol

C14H18N2O2 — CID 28964156

IUPAC[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1cc(C)cc(Oc2c(CO)c(C)nn2C)c1
InChIInChI=1S/C14H18N2O2/c1-9-5-10(2)7-12(6-9)18-14-13(8-17)11(3)15-16(14)4/h5-7,17H,8H2,1-4H3
InChIKeyRBEZPFBCVDPYQZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.63
Rot. Bonds3

About [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol

[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 28964156) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID28964156
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1cc(C)cc(Oc2c(CO)c(C)nn2C)c1
InChIInChI=1S/C14H18N2O2/c1-9-5-10(2)7-12(6-9)18-14-13(8-17)11(3)15-16(14)4/h5-7,17H,8H2,1-4H3
InChIKeyRBEZPFBCVDPYQZ-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 115492816
[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43351940
[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-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43479792
[1,3-dimethyl-5-(4-methyl-2-nitrophenoxy)pyrazol-4-yl]methanol
CID 61311454
1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63803668
[5-(4,5-dichloro-2-nitrophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 107500283

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (CID 28964156) is [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is Cc1cc(C)cc(Oc2c(CO)c(C)nn2C)c1.
What is the InChIKey of [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is RBEZPFBCVDPYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-5-10(2)7-12(6-9)18-14-13(8-17)11(3)15-16(14)4/h5-7,17H,8H2,1-4H3.
What are the key properties of [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 28964156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).