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

C16H22N2O2 — CID 115492816

IUPAC[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCCCc1ccc(Oc2c(CO)c(C)nn2C)cc1
InChIInChI=1S/C16H22N2O2/c1-4-5-6-13-7-9-14(10-8-13)20-16-15(11-19)12(2)17-18(16)3/h7-10,19H,4-6,11H2,1-3H3
InChIKeyBZKFZVGXLZFPLL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.36
Rot. Bonds6

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

[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 115492816) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID115492816
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCCCc1ccc(Oc2c(CO)c(C)nn2C)cc1
InChIInChI=1S/C16H22N2O2/c1-4-5-6-13-7-9-14(10-8-13)20-16-15(11-19)12(2)17-18(16)3/h7-10,19H,4-6,11H2,1-3H3
InChIKeyBZKFZVGXLZFPLL-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.36
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-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
5-(4-butylphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 115492697
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964156
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63803142
N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide
CID 76952111
4-(chloromethyl)-1,3-dimethyl-5-(4-propoxyphenoxy)pyrazole
CID 28971291
N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
5-[4-(hydroxymethyl)phenoxy]-1,3-dimethylpyrazole-4-carbothioamide
CID 63750941

Frequently Asked Questions

What is the IUPAC name of [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (CID 115492816) is [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is CCCCc1ccc(Oc2c(CO)c(C)nn2C)cc1.
What is the InChIKey of [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is BZKFZVGXLZFPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-5-6-13-7-9-14(10-8-13)20-16-15(11-19)12(2)17-18(16)3/h7-10,19H,4-6,11H2,1-3H3.
What are the key properties of [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 274.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 115492816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).