2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol

C13H20N4O — CID 66131633

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)Cc1cc(C)nn1C
InChIInChI=1S/C13H20N4O/c1-4-5-17-9-14-8-12(17)13(18)7-11-6-10(2)15-16(11)3/h6,8-9,13,18H,4-5,7H2,1-3H3
InChIKeyBDOCFZJRXWJSAN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol

2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol (PubChem CID 66131633) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
PubChem CID66131633
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)Cc1cc(C)nn1C
InChIInChI=1S/C13H20N4O/c1-4-5-17-9-14-8-12(17)13(18)7-11-6-10(2)15-16(11)3/h6,8-9,13,18H,4-5,7H2,1-3H3
InChIKeyBDOCFZJRXWJSAN-UHFFFAOYSA-N
XLogP1.61
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131436
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129440
2-(4-fluoro-2-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 114346924
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
2-(3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131044
2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131048
2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104802227
(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66131636
2-cyclopentyl-1-(3-propylimidazol-4-yl)ethanol
CID 66129443
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131445
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756242

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol (CID 66131633) is 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol is CCCn1cncc1C(O)Cc1cc(C)nn1C.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol?
The InChIKey is BDOCFZJRXWJSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-5-17-9-14-8-12(17)13(18)7-11-6-10(2)15-16(11)3/h6,8-9,13,18H,4-5,7H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol?
2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol has a molecular weight of 248.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol is sourced from PubChem (CID 66131633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).