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

C10H16N2O — CID 90385607

IUPAC2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(CCO)c(C2CC2)nn1C
InChIInChI=1S/C10H16N2O/c1-7-9(5-6-13)10(8-3-4-8)11-12(7)2/h8,13H,3-6H2,1-2H3
InChIKeyFRVQPAFFYAYXNU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.14
Rot. Bonds3

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

2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol (PubChem CID 90385607) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol
PubChem CID90385607
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(CCO)c(C2CC2)nn1C
InChIInChI=1S/C10H16N2O/c1-7-9(5-6-13)10(8-3-4-8)11-12(7)2/h8,13H,3-6H2,1-2H3
InChIKeyFRVQPAFFYAYXNU-UHFFFAOYSA-N
XLogP1.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol (CID 90385607) is 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol is Cc1c(CCO)c(C2CC2)nn1C.
What is the InChIKey of 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol?
The InChIKey is FRVQPAFFYAYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-9(5-6-13)10(8-3-4-8)11-12(7)2/h8,13H,3-6H2,1-2H3.
What are the key properties of 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol?
2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol has a molecular weight of 180.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 90385607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).