(2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol

C16H22N2O2 — CID 105095513

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
SMILESCCn1nc(C)cc1C(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-18-15(10-12(4)17-18)16(19)13-6-8-14(9-7-13)20-11(2)3/h6-11,16,19H,5H2,1-4H3
InChIKeyKWGZTYVXPCXKBO-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.08
Rot. Bonds5

About (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol

(2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol (PubChem CID 105095513) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
PubChem CID105095513
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
SMILESCCn1nc(C)cc1C(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-18-15(10-12(4)17-18)16(19)13-6-8-14(9-7-13)20-11(2)3/h6-11,16,19H,5H2,1-4H3
InChIKeyKWGZTYVXPCXKBO-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
(3,4-dimethylphenyl)-(4-propan-2-yloxyphenyl)methanol
CID 61086884
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786617
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
(1-methylimidazol-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63974299
(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol
CID 106465689
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105079596
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
[(2-ethyl-5-methylpyrazol-3-yl)-(4-methylphenyl)methyl]hydrazine
CID 105285400
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol (CID 105095513) is (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol is CCn1nc(C)cc1C(O)c1ccc(OC(C)C)cc1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol?
The InChIKey is KWGZTYVXPCXKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-18-15(10-12(4)17-18)16(19)13-6-8-14(9-7-13)20-11(2)3/h6-11,16,19H,5H2,1-4H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol?
(2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol has a molecular weight of 274.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 105095513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).