2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol

C13H19ClN4O — CID 66134956

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C13H19ClN4O/c1-4-17-8-15-7-11(17)12(19)6-10-13(14)9(3)16-18(10)5-2/h7-8,12,19H,4-6H2,1-3H3
InChIKeyJLEWKKGNQFPZDK-UHFFFAOYSA-N
MW282.78 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol (PubChem CID 66134956) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
PubChem CID66134956
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C13H19ClN4O/c1-4-17-8-15-7-11(17)12(19)6-10-13(14)9(3)16-18(10)5-2/h7-8,12,19H,4-6H2,1-3H3
InChIKeyJLEWKKGNQFPZDK-UHFFFAOYSA-N
XLogP2.36
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol (CID 66134956) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(O)Cc1c(Cl)c(C)nn1CC.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is JLEWKKGNQFPZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-4-17-8-15-7-11(17)12(19)6-10-13(14)9(3)16-18(10)5-2/h7-8,12,19H,4-6H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 282.78 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 66134956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).