2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one

C17H11ClN2O2 — CID 46329193

IUPAC2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one
SMILESCc1ccc2oc3nn(-c4ccc(Cl)cc4)c(=O)c-3cc2c1
InChIInChI=1S/C17H11ClN2O2/c1-10-2-7-15-11(8-10)9-14-16(22-15)19-20(17(14)21)13-5-3-12(18)4-6-13/h2-9H,1H3
InChIKeyFFNXWEIGCINLFA-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.05
Rot. Bonds1

About 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one

2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one (PubChem CID 46329193) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one
PubChem CID46329193
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one
SMILESCc1ccc2oc3nn(-c4ccc(Cl)cc4)c(=O)c-3cc2c1
InChIInChI=1S/C17H11ClN2O2/c1-10-2-7-15-11(8-10)9-14-16(22-15)19-20(17(14)21)13-5-3-12(18)4-6-13/h2-9H,1H3
InChIKeyFFNXWEIGCINLFA-UHFFFAOYSA-N
XLogP4.05
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide
CID 24860444
N-(4-chlorophenyl)-2H-chromene-3-carboxamide
CID 1475940
N-(4-chlorophenyl)-2-imino-6-methoxy-2H-chromene-3-carboxamide
CID 780615
2-(4-chlorophenyl)-4-(2,4-dimethoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 6504955
(4Z)-1-(3-Chlorophenyl)-3-methyl-4-{[2-(prop-2-EN-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrazol-5-one
CID 44428638
2-(4-Chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one
CID 56680367
(4E)-2-(4-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 132787258
(4E)-2-(4-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 145991699
(4E)-2-(4-chlorophenyl)-4-[(4-ethoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 6391201
(4Z)-2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-5-phenylpyrazol-3-one
CID 52945968
2-(3-chlorophenyl)-4H-[1]benzoxepino[3,4-c]pyrazol-1-one
CID 76318257
2-(4-chlorophenyl)-4H-[1]benzoxepino[3,4-c]pyrazol-1-one
CID 76325582

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one (CID 46329193) is 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one is Cc1ccc2oc3nn(-c4ccc(Cl)cc4)c(=O)c-3cc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one?
The InChIKey is FFNXWEIGCINLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c1-10-2-7-15-11(8-10)9-14-16(22-15)19-20(17(14)21)13-5-3-12(18)4-6-13/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one?
2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one has a molecular weight of 310.74 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methylchromeno[2,3-c]pyrazol-3-one is sourced from PubChem (CID 46329193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).