6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one

C14H14N2O3 — CID 114674030

IUPAC6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1cnn(C)c1)O2
InChIInChI=1S/C14H14N2O3/c1-16-8-9(7-15-16)14-6-12(17)11-5-10(18-2)3-4-13(11)19-14/h3-5,7-8,14H,6H2,1-2H3
InChIKeyYPXPTOCYJDKAND-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.14
Rot. Bonds2

About 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one

6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 114674030) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
PubChem CID114674030
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1cnn(C)c1)O2
InChIInChI=1S/C14H14N2O3/c1-16-8-9(7-15-16)14-6-12(17)11-5-10(18-2)3-4-13(11)19-14/h3-5,7-8,14H,6H2,1-2H3
InChIKeyYPXPTOCYJDKAND-UHFFFAOYSA-N
XLogP2.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-(1-methylpyrazol-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

Related Compounds

6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672192
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114674062
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762
6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 103573832
6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 103573834
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one (CID 114674030) is 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)CC(c1cnn(C)c1)O2.
What is the InChIKey of 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is YPXPTOCYJDKAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16-8-9(7-15-16)14-6-12(17)11-5-10(18-2)3-4-13(11)19-14/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 258.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).