5-methoxy-4-propan-2-yl-1H-pyrazole

C7H12N2O — CID 121446435

IUPAC5-methoxy-4-propan-2-yl-1H-pyrazole
SMILESCOc1[nH]ncc1C(C)C
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-8-9-7(6)10-3/h4-5H,1-3H3,(H,8,9)
InChIKeyZMWQDHLGSSUNDO-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.54
Rot. Bonds2

About 5-methoxy-4-propan-2-yl-1H-pyrazole

5-methoxy-4-propan-2-yl-1H-pyrazole (PubChem CID 121446435) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-methoxy-4-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-methoxy-4-propan-2-yl-1H-pyrazole
PubChem CID121446435
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-methoxy-4-propan-2-yl-1H-pyrazole
SMILESCOc1[nH]ncc1C(C)C
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-8-9-7(6)10-3/h4-5H,1-3H3,(H,8,9)
InChIKeyZMWQDHLGSSUNDO-UHFFFAOYSA-N
XLogP1.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-4-propan-2-yl-1H-pyrazole 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 5-methoxy-4-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-methoxy-4-propan-2-yl-1H-pyrazole (CID 121446435) is 5-methoxy-4-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-methoxy-4-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-methoxy-4-propan-2-yl-1H-pyrazole is COc1[nH]ncc1C(C)C.
What is the InChIKey of 5-methoxy-4-propan-2-yl-1H-pyrazole?
The InChIKey is ZMWQDHLGSSUNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)6-4-8-9-7(6)10-3/h4-5H,1-3H3,(H,8,9).
What are the key properties of 5-methoxy-4-propan-2-yl-1H-pyrazole?
5-methoxy-4-propan-2-yl-1H-pyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 121446435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).