3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol

C11H20N2O — CID 105076282

IUPAC3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
SMILESCc1nn(C)c(C)c1C(O)CC(C)C
InChIInChI=1S/C11H20N2O/c1-7(2)6-10(14)11-8(3)12-13(5)9(11)4/h7,10,14H,6H2,1-5H3
InChIKeyHAZHQOMUONXQLA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.12
Rot. Bonds3

About 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol

3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol (PubChem CID 105076282) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
PubChem CID105076282
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
SMILESCc1nn(C)c(C)c1C(O)CC(C)C
InChIInChI=1S/C11H20N2O/c1-7(2)6-10(14)11-8(3)12-13(5)9(11)4/h7,10,14H,6H2,1-5H3
InChIKeyHAZHQOMUONXQLA-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol
CID 105102312
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105103448
cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105105459
2-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105076709
2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101093
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
CID 114201866
2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123343
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105107249

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol (CID 105076282) is 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol is Cc1nn(C)c(C)c1C(O)CC(C)C.
What is the InChIKey of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol?
The InChIKey is HAZHQOMUONXQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)6-10(14)11-8(3)12-13(5)9(11)4/h7,10,14H,6H2,1-5H3.
What are the key properties of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol?
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 105076282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).