1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole

C10H14N2O — CID 102567821

IUPAC1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole
SMILESCc1cc(C2CO2)n(CC2CC2)n1
InChIInChI=1S/C10H14N2O/c1-7-4-9(10-6-13-10)12(11-7)5-8-2-3-8/h4,8,10H,2-3,5-6H2,1H3
InChIKeySEMWFSLCRGKTHT-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.67
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole

1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole (PubChem CID 102567821) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole
PubChem CID102567821
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole
SMILESCc1cc(C2CO2)n(CC2CC2)n1
InChIInChI=1S/C10H14N2O/c1-7-4-9(10-6-13-10)12(11-7)5-8-2-3-8/h4,8,10H,2-3,5-6H2,1H3
InChIKeySEMWFSLCRGKTHT-UHFFFAOYSA-N
XLogP1.67
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole
CID 123367533
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
CID 161043600
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 124926405
2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide
CID 166431940
2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane
CID 176566562
2-(2-cyclopropylethyl)-5-methylpyrazol-3-amine
CID 146569679
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 90494955
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351295
1-(cyclopropylmethyl)-3,6-dimethylindazole
CID 129023140
cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724065
1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
CID 42576240
3-bromo-5-methyl-1-(oxan-4-ylmethyl)pyrazole
CID 162723710

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole?
The IUPAC name of 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole (CID 102567821) is 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole?
The canonical SMILES for 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole is Cc1cc(C2CO2)n(CC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole?
The InChIKey is SEMWFSLCRGKTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-4-9(10-6-13-10)12(11-7)5-8-2-3-8/h4,8,10H,2-3,5-6H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole?
1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole has a molecular weight of 178.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole is sourced from PubChem (CID 102567821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).