1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol

C12H18N4O — CID 79753116

IUPAC1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccn(C)n1
InChIInChI=1S/C12H18N4O/c1-3-6-16-8-5-13-12(16)9-11(17)10-4-7-15(2)14-10/h4-5,7-8,11,17H,3,6,9H2,1-2H3
InChIKeyABUFGHTXLWEHCM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol

1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 79753116) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID79753116
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccn(C)n1
InChIInChI=1S/C12H18N4O/c1-3-6-16-8-5-13-12(16)9-11(17)10-4-7-15(2)14-10/h4-5,7-8,11,17H,3,6,9H2,1-2H3
InChIKeyABUFGHTXLWEHCM-UHFFFAOYSA-N
XLogP1.30
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 107978538
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3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol
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1-(2,6-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
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1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
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1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115566560
1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 114239445
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
1-(2-fluoro-5-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115820989
1-(2-chloro-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 106859395

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol (CID 79753116) is 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is ABUFGHTXLWEHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-6-16-8-5-13-12(16)9-11(17)10-4-7-15(2)14-10/h4-5,7-8,11,17H,3,6,9H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol?
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 79753116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).