3-cyclopropyl-1-ethylpyrazole

C8H12N2 — CID 25247549

IUPAC3-cyclopropyl-1-ethylpyrazole
SMILESCCn1ccc(C2CC2)n1
InChIInChI=1S/C8H12N2/c1-2-10-6-5-8(9-10)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyXVWUFBYNBFOLHM-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.78
Rot. Bonds2

About 3-cyclopropyl-1-ethylpyrazole

3-cyclopropyl-1-ethylpyrazole (PubChem CID 25247549) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-ethylpyrazole
PubChem CID25247549
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-cyclopropyl-1-ethylpyrazole
SMILESCCn1ccc(C2CC2)n1
InChIInChI=1S/C8H12N2/c1-2-10-6-5-8(9-10)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyXVWUFBYNBFOLHM-UHFFFAOYSA-N
XLogP1.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-ethylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethylpyrazole?
The IUPAC name of 3-cyclopropyl-1-ethylpyrazole (CID 25247549) is 3-cyclopropyl-1-ethylpyrazole.
What is the SMILES notation for 3-cyclopropyl-1-ethylpyrazole?
The canonical SMILES for 3-cyclopropyl-1-ethylpyrazole is CCn1ccc(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-ethylpyrazole?
The InChIKey is XVWUFBYNBFOLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-10-6-5-8(9-10)7-3-4-7/h5-7H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-1-ethylpyrazole?
3-cyclopropyl-1-ethylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethylpyrazole is sourced from PubChem (CID 25247549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).