1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane

C10H18N2O — CID 172605487

IUPAC1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane
SMILESCC.COc1nn(C2CC2)cc1C
InChIInChI=1S/C8H12N2O.C2H6/c1-6-5-10(7-3-4-7)9-8(6)11-2;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyRQBJPQBFVCQNTA-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.56
Rot. Bonds2

About 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane

1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane (PubChem CID 172605487) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane.

Molecular Properties

Compound Name1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane
PubChem CID172605487
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane
SMILESCC.COc1nn(C2CC2)cc1C
InChIInChI=1S/C8H12N2O.C2H6/c1-6-5-10(7-3-4-7)9-8(6)11-2;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyRQBJPQBFVCQNTA-UHFFFAOYSA-N
XLogP2.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane 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 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane?
The IUPAC name of 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane (CID 172605487) is 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane.
What is the SMILES notation for 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane?
The canonical SMILES for 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane is CC.COc1nn(C2CC2)cc1C.
What is the InChIKey of 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane?
The InChIKey is RQBJPQBFVCQNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-6-5-10(7-3-4-7)9-8(6)11-2;1-2/h5,7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane?
1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane has a molecular weight of 182.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane is sourced from PubChem (CID 172605487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).