2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol

C8H12N2O — CID 103122302

IUPAC2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol
SMILESCC1CC1(O)c1ccn(C)n1
InChIInChI=1S/C8H12N2O/c1-6-5-8(6,11)7-3-4-10(2)9-7/h3-4,6,11H,5H2,1-2H3
InChIKeyJLHQMCWXHVGOLO-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.65
Rot. Bonds1

About 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol

2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol (PubChem CID 103122302) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol
PubChem CID103122302
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol
SMILESCC1CC1(O)c1ccn(C)n1
InChIInChI=1S/C8H12N2O/c1-6-5-8(6,11)7-3-4-10(2)9-7/h3-4,6,11H,5H2,1-2H3
InChIKeyJLHQMCWXHVGOLO-UHFFFAOYSA-N
XLogP0.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol (CID 103122302) is 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol is CC1CC1(O)c1ccn(C)n1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol?
The InChIKey is JLHQMCWXHVGOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-8(6,11)7-3-4-10(2)9-7/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol?
2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol has a molecular weight of 152.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol is sourced from PubChem (CID 103122302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).