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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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).