7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one

C14H12N2O4 — CID 178046062

IUPAC7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one
SMILESCOc1c(O)ccc2c(=O)cc(-c3cnn(C)c3)oc12
InChIInChI=1S/C14H12N2O4/c1-16-7-8(6-15-16)12-5-11(18)9-3-4-10(17)14(19-2)13(9)20-12/h3-7,17H,1-2H3
InChIKeyLDNIOXZDVLPCQB-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.91
Rot. Bonds2

About 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one

7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one (PubChem CID 178046062) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one
PubChem CID178046062
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one
SMILESCOc1c(O)ccc2c(=O)cc(-c3cnn(C)c3)oc12
InChIInChI=1S/C14H12N2O4/c1-16-7-8(6-15-16)12-5-11(18)9-3-4-10(17)14(19-2)13(9)20-12/h3-7,17H,1-2H3
InChIKeyLDNIOXZDVLPCQB-UHFFFAOYSA-N
XLogP1.91
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one
CID 164861295
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
CID 146347086
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) pyridine-4-carboxylate
CID 146347181
2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
2-[4-[4-[2-(1-benzylpiperidin-4-yl)ethyl-methylamino]butyl-methylamino]phenyl]-7-hydroxy-8-methoxychromen-4-one
CID 171546153
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
[6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl] phosphate
CID 59576652
2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
CID 66521679
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one (CID 178046062) is 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one is COc1c(O)ccc2c(=O)cc(-c3cnn(C)c3)oc12.
What is the InChIKey of 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one?
The InChIKey is LDNIOXZDVLPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-16-7-8(6-15-16)12-5-11(18)9-3-4-10(17)14(19-2)13(9)20-12/h3-7,17H,1-2H3.
What are the key properties of 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one?
7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one has a molecular weight of 272.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 178046062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).