1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol

C11H20N2O — CID 105116539

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
SMILESCCc1cc(C(O)C(C)CC)n(C)n1
InChIInChI=1S/C11H20N2O/c1-5-8(3)11(14)10-7-9(6-2)12-13(10)4/h7-8,11,14H,5-6H2,1-4H3
InChIKeyYUSQTCRPKXYSGV-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.06
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol

1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol (PubChem CID 105116539) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
PubChem CID105116539
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
SMILESCCc1cc(C(O)C(C)CC)n(C)n1
InChIInChI=1S/C11H20N2O/c1-5-8(3)11(14)10-7-9(6-2)12-13(10)4/h7-8,11,14H,5-6H2,1-4H3
InChIKeyYUSQTCRPKXYSGV-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105095860
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080944
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanol
CID 105098896
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
CID 105109320
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
CID 105113003
(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol (CID 105116539) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol is CCc1cc(C(O)C(C)CC)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol?
The InChIKey is YUSQTCRPKXYSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-8(3)11(14)10-7-9(6-2)12-13(10)4/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 105116539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).