1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol

C12H22N2O — CID 114495869

IUPAC1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol
SMILESCCc1c(C)nn(CC(C)(O)CC)c1C
InChIInChI=1S/C12H22N2O/c1-6-11-9(3)13-14(10(11)4)8-12(5,15)7-2/h15H,6-8H2,1-5H3
InChIKeyAKRSSXYWGGBBER-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.22
Rot. Bonds4

About 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol

1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol (PubChem CID 114495869) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol
PubChem CID114495869
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol
SMILESCCc1c(C)nn(CC(C)(O)CC)c1C
InChIInChI=1S/C12H22N2O/c1-6-11-9(3)13-14(10(11)4)8-12(5,15)7-2/h15H,6-8H2,1-5H3
InChIKeyAKRSSXYWGGBBER-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol (CID 114495869) is 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol is CCc1c(C)nn(CC(C)(O)CC)c1C.
What is the InChIKey of 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol?
The InChIKey is AKRSSXYWGGBBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-11-9(3)13-14(10(11)4)8-12(5,15)7-2/h15H,6-8H2,1-5H3.
What are the key properties of 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol?
1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 114495869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).