1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol

C11H20N2O — CID 105133593

IUPAC1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
SMILESCCc1cc(C(O)C(C)C)n(CC)n1
InChIInChI=1S/C11H20N2O/c1-5-9-7-10(11(14)8(3)4)13(6-2)12-9/h7-8,11,14H,5-6H2,1-4H3
InChIKeyMOKVSHDSJRVXRA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.15
Rot. Bonds4

About 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol

1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol (PubChem CID 105133593) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
PubChem CID105133593
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
SMILESCCc1cc(C(O)C(C)C)n(CC)n1
InChIInChI=1S/C11H20N2O/c1-5-9-7-10(11(14)8(3)4)13(6-2)12-9/h7-8,11,14H,5-6H2,1-4H3
InChIKeyMOKVSHDSJRVXRA-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105084690
(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592
1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 105117842
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
1-(1,3-diethylpyrazol-5-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 105115124
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 105082907

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol (CID 105133593) is 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol is CCc1cc(C(O)C(C)C)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is MOKVSHDSJRVXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9-7-10(11(14)8(3)4)13(6-2)12-9/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol?
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 105133593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).