5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one

C15H13ClN2O3 — CID 135371251

IUPAC5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one
SMILESCCn1nc2c(=O)c(O)c(-c3ccccc3Cl)oc2c1C
InChIInChI=1S/C15H13ClN2O3/c1-3-18-8(2)14-11(17-18)12(19)13(20)15(21-14)9-6-4-5-7-10(9)16/h4-7,20H,3H2,1-2H3
InChIKeyBMLNIENOPLNQNU-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.34
Rot. Bonds2

About 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one

5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one (PubChem CID 135371251) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one
PubChem CID135371251
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one
SMILESCCn1nc2c(=O)c(O)c(-c3ccccc3Cl)oc2c1C
InChIInChI=1S/C15H13ClN2O3/c1-3-18-8(2)14-11(17-18)12(19)13(20)15(21-14)9-6-4-5-7-10(9)16/h4-7,20H,3H2,1-2H3
InChIKeyBMLNIENOPLNQNU-UHFFFAOYSA-N
XLogP3.34
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one?
The IUPAC name of 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one (CID 135371251) is 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one?
The canonical SMILES for 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one is CCn1nc2c(=O)c(O)c(-c3ccccc3Cl)oc2c1C.
What is the InChIKey of 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one?
The InChIKey is BMLNIENOPLNQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-3-18-8(2)14-11(17-18)12(19)13(20)15(21-14)9-6-4-5-7-10(9)16/h4-7,20H,3H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one?
5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one has a molecular weight of 304.73 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one is sourced from PubChem (CID 135371251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).