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

C11H18N2O — CID 121292128

IUPAC2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol
SMILESCCn1nc(C2CC2)c(CCO)c1C
InChIInChI=1S/C11H18N2O/c1-3-13-8(2)10(6-7-14)11(12-13)9-4-5-9/h9,14H,3-7H2,1-2H3
InChIKeyGGDBPLUIWHWZSP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.62
Rot. Bonds4

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

2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol (PubChem CID 121292128) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol
PubChem CID121292128
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol
SMILESCCn1nc(C2CC2)c(CCO)c1C
InChIInChI=1S/C11H18N2O/c1-3-13-8(2)10(6-7-14)11(12-13)9-4-5-9/h9,14H,3-7H2,1-2H3
InChIKeyGGDBPLUIWHWZSP-UHFFFAOYSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol (CID 121292128) is 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol is CCn1nc(C2CC2)c(CCO)c1C.
What is the InChIKey of 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol?
The InChIKey is GGDBPLUIWHWZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-13-8(2)10(6-7-14)11(12-13)9-4-5-9/h9,14H,3-7H2,1-2H3.
What are the key properties of 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol?
2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol has a molecular weight of 194.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 121292128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).