1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C13H20N4O — CID 114220139

IUPAC1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ccn(C(C)C)n2)nn1C
InChIInChI=1S/C13H20N4O/c1-9(2)17-6-5-11(14-17)8-13(18)12-7-10(3)16(4)15-12/h5-7,9,13,18H,8H2,1-4H3
InChIKeyHUISMWOJJMCHIQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 114220139) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID114220139
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ccn(C(C)C)n2)nn1C
InChIInChI=1S/C13H20N4O/c1-9(2)17-6-5-11(14-17)8-13(18)12-7-10(3)16(4)15-12/h5-7,9,13,18H,8H2,1-4H3
InChIKeyHUISMWOJJMCHIQ-UHFFFAOYSA-N
XLogP1.78
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105103448
1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 115527999
2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220124
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220168
3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile
CID 131490844
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
1-(4-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64773157
1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103317
1-(3-methyl-2-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771004
1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772954

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 114220139) is 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is Cc1cc(C(O)Cc2ccn(C(C)C)n2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is HUISMWOJJMCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)17-6-5-11(14-17)8-13(18)12-7-10(3)16(4)15-12/h5-7,9,13,18H,8H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 248.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114220139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).