4-methoxy-5-methyl-1-propan-2-ylpyrazole

C8H14N2O — CID 149332345

IUPAC4-methoxy-5-methyl-1-propan-2-ylpyrazole
SMILESCOc1cnn(C(C)C)c1C
InChIInChI=1S/C8H14N2O/c1-6(2)10-7(3)8(11-4)5-9-10/h5-6H,1-4H3
InChIKeyYCODQVPYFRWYAE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.78
Rot. Bonds2

About 4-methoxy-5-methyl-1-propan-2-ylpyrazole

4-methoxy-5-methyl-1-propan-2-ylpyrazole (PubChem CID 149332345) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-methoxy-5-methyl-1-propan-2-ylpyrazole
PubChem CID149332345
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-methoxy-5-methyl-1-propan-2-ylpyrazole
SMILESCOc1cnn(C(C)C)c1C
InChIInChI=1S/C8H14N2O/c1-6(2)10-7(3)8(11-4)5-9-10/h5-6H,1-4H3
InChIKeyYCODQVPYFRWYAE-UHFFFAOYSA-N
XLogP1.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-5-methyl-1-propan-2-ylpyrazole 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 4-methoxy-5-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-methoxy-5-methyl-1-propan-2-ylpyrazole (CID 149332345) is 4-methoxy-5-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-methoxy-5-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-methoxy-5-methyl-1-propan-2-ylpyrazole is COc1cnn(C(C)C)c1C.
What is the InChIKey of 4-methoxy-5-methyl-1-propan-2-ylpyrazole?
The InChIKey is YCODQVPYFRWYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)10-7(3)8(11-4)5-9-10/h5-6H,1-4H3.
What are the key properties of 4-methoxy-5-methyl-1-propan-2-ylpyrazole?
4-methoxy-5-methyl-1-propan-2-ylpyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 149332345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).