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

C15H24N4O — CID 105103405

IUPAC1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccn(C(C)C)n2)n(CC)n1
InChIInChI=1S/C15H24N4O/c1-5-12-9-14(18(6-2)16-12)15(20)10-13-7-8-19(17-13)11(3)4/h7-9,11,15,20H,5-6,10H2,1-4H3
InChIKeyQUOJOZSUJURQNY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.52
Rot. Bonds6

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

1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 105103405) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID105103405
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccn(C(C)C)n2)n(CC)n1
InChIInChI=1S/C15H24N4O/c1-5-12-9-14(18(6-2)16-12)15(20)10-13-7-8-19(17-13)11(3)4/h7-9,11,15,20H,5-6,10H2,1-4H3
InChIKeyQUOJOZSUJURQNY-UHFFFAOYSA-N
XLogP2.52
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154827
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
1-(1,3-diethylpyrazol-5-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 105115124
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105084690
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312757
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 105117842

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 105103405) is 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CCc1cc(C(O)Cc2ccn(C(C)C)n2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is QUOJOZSUJURQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-12-9-14(18(6-2)16-12)15(20)10-13-7-8-19(17-13)11(3)4/h7-9,11,15,20H,5-6,10H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 276.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105103405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).