5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one

C14H12N2O4 — CID 54102075

IUPAC5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccn[nH]3)oc2c1
InChIInChI=1S/C14H12N2O4/c1-18-8-5-12(19-2)14-10(17)7-11(20-13(14)6-8)9-3-4-15-16-9/h3-7H,1-2H3,(H,15,16)
InChIKeyNBENCLZGLPLUDF-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.20
Rot. Bonds3

About 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one

5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one (PubChem CID 54102075) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
PubChem CID54102075
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccn[nH]3)oc2c1
InChIInChI=1S/C14H12N2O4/c1-18-8-5-12(19-2)14-10(17)7-11(20-13(14)6-8)9-3-4-15-16-9/h3-7H,1-2H3,(H,15,16)
InChIKeyNBENCLZGLPLUDF-UHFFFAOYSA-N
XLogP2.20
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-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

Related Compounds

5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
2-[2-(13-hydroxytridecyl)-4-methoxyphenyl]-5,7-dimethoxychromen-4-one
CID 87241551
methyl 5-(5,7-dimethoxy-4-oxochromen-2-yl)pentanoate
CID 156580887
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one
CID 175483578
[2-(3-acetyloxy-4-methoxyphenyl)-5-methoxy-4-oxochromen-7-yl] acetate
CID 163008395
5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
CID 22906454
7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 72703441
2-(4-fluorophenyl)-5,7-dimethoxychromene-4-thione
CID 154714196

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one (CID 54102075) is 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccn[nH]3)oc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one?
The InChIKey is NBENCLZGLPLUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-18-8-5-12(19-2)14-10(17)7-11(20-13(14)6-8)9-3-4-15-16-9/h3-7H,1-2H3,(H,15,16).
What are the key properties of 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one?
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one has a molecular weight of 272.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one is sourced from PubChem (CID 54102075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).