2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol

C9H14N2O — CID 79332913

IUPAC2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol
SMILESCCC1CC1(C2=C(NN=C2)C)O
InChIInChI=1S/C9H14N2O/c1-3-7-4-9(7,12)8-5-10-11-6(8)2/h5,7,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyUYMJIINNWPDWBD-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.90
Rot. Bonds2

About 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol

2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol (PubChem CID 79332913) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol
PubChem CID79332913
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol
SMILESCCC1CC1(C2=C(NN=C2)C)O
InChIInChI=1S/C9H14N2O/c1-3-7-4-9(7,12)8-5-10-11-6(8)2/h5,7,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyUYMJIINNWPDWBD-UHFFFAOYSA-N
XLogP0.90
TPSA48.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity185

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol?
The IUPAC name of 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol (CID 79332913) is 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol?
The canonical SMILES for 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol is CCC1CC1(C2=C(NN=C2)C)O.
What is the InChIKey of 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol?
The InChIKey is UYMJIINNWPDWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-7-4-9(7,12)8-5-10-11-6(8)2/h5,7,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol?
2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-methyl-1H-pyrazol-4-yl)cyclopropan-1-ol is sourced from PubChem (CID 79332913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).