6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol

C16H20N2O2 — CID 79374992

IUPAC6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
SMILESCCCn1cc(C2(O)CCc3ccc(OC)cc32)cn1
InChIInChI=1S/C16H20N2O2/c1-3-8-18-11-13(10-17-18)16(19)7-6-12-4-5-14(20-2)9-15(12)16/h4-5,9-11,19H,3,6-8H2,1-2H3
InChIKeyGLJQZRGVEYYNDJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds4

About 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol

6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol (PubChem CID 79374992) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
PubChem CID79374992
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
SMILESCCCn1cc(C2(O)CCc3ccc(OC)cc32)cn1
InChIInChI=1S/C16H20N2O2/c1-3-8-18-11-13(10-17-18)16(19)7-6-12-4-5-14(20-2)9-15(12)16/h4-5,9-11,19H,3,6-8H2,1-2H3
InChIKeyGLJQZRGVEYYNDJ-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol 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 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol (CID 79374992) is 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol is CCCn1cc(C2(O)CCc3ccc(OC)cc32)cn1.
What is the InChIKey of 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol?
The InChIKey is GLJQZRGVEYYNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-8-18-11-13(10-17-18)16(19)7-6-12-4-5-14(20-2)9-15(12)16/h4-5,9-11,19H,3,6-8H2,1-2H3.
What are the key properties of 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol?
6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79374992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).