6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one

C16H18N2O2 — CID 103573832

IUPAC6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCCCn1cc(C2CC(=O)c3cc(C)ccc3O2)cn1
InChIInChI=1S/C16H18N2O2/c1-3-6-18-10-12(9-17-18)16-8-14(19)13-7-11(2)4-5-15(13)20-16/h4-5,7,9-10,16H,3,6,8H2,1-2H3
InChIKeyPSVDDHSJKAPGES-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.31
Rot. Bonds3

About 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one

6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 103573832) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
PubChem CID103573832
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCCCn1cc(C2CC(=O)c3cc(C)ccc3O2)cn1
InChIInChI=1S/C16H18N2O2/c1-3-6-18-10-12(9-17-18)16-8-14(19)13-7-11(2)4-5-15(13)20-16/h4-5,7,9-10,16H,3,6,8H2,1-2H3
InChIKeyPSVDDHSJKAPGES-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one 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-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one (CID 103573832) is 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one is CCCn1cc(C2CC(=O)c3cc(C)ccc3O2)cn1.
What is the InChIKey of 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is PSVDDHSJKAPGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-6-18-10-12(9-17-18)16-8-14(19)13-7-11(2)4-5-15(13)20-16/h4-5,7,9-10,16H,3,6,8H2,1-2H3.
What are the key properties of 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 270.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 103573832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).