3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole

C16H20N2O2 — CID 91645046

IUPAC3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole
SMILESCc1cc(COc2ccc(OCC3CC3)cc2)nn1C
InChIInChI=1S/C16H20N2O2/c1-12-9-14(17-18(12)2)11-20-16-7-5-15(6-8-16)19-10-13-3-4-13/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyHJOPLWLRRSCTBF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.10
Rot. Bonds6

About 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole

3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole (PubChem CID 91645046) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole
PubChem CID91645046
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole
SMILESCc1cc(COc2ccc(OCC3CC3)cc2)nn1C
InChIInChI=1S/C16H20N2O2/c1-12-9-14(17-18(12)2)11-20-16-7-5-15(6-8-16)19-10-13-3-4-13/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyHJOPLWLRRSCTBF-UHFFFAOYSA-N
XLogP3.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole 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-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole?
The IUPAC name of 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole (CID 91645046) is 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole.
What is the SMILES notation for 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole?
The canonical SMILES for 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole is Cc1cc(COc2ccc(OCC3CC3)cc2)nn1C.
What is the InChIKey of 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole?
The InChIKey is HJOPLWLRRSCTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-9-14(17-18(12)2)11-20-16-7-5-15(6-8-16)19-10-13-3-4-13/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole?
3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole has a molecular weight of 272.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole is sourced from PubChem (CID 91645046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).