2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol

C9H14N2O — CID 89370102

IUPAC2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol
SMILESCc1[nH]nc(C2CC2)c1CCO
InChIInChI=1S/C9H14N2O/c1-6-8(4-5-12)9(11-10-6)7-2-3-7/h7,12H,2-5H2,1H3,(H,10,11)
InChIKeyOGCHSFHYDREMDZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.13
Rot. Bonds3

About 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol

2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol (PubChem CID 89370102) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol
PubChem CID89370102
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol
SMILESCc1[nH]nc(C2CC2)c1CCO
InChIInChI=1S/C9H14N2O/c1-6-8(4-5-12)9(11-10-6)7-2-3-7/h7,12H,2-5H2,1H3,(H,10,11)
InChIKeyOGCHSFHYDREMDZ-UHFFFAOYSA-N
XLogP1.13
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol (CID 89370102) is 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol is Cc1[nH]nc(C2CC2)c1CCO.
What is the InChIKey of 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol?
The InChIKey is OGCHSFHYDREMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-8(4-5-12)9(11-10-6)7-2-3-7/h7,12H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol?
2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol has a molecular weight of 166.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 89370102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).