1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

C15H13ClN2O2 — CID 707140

IUPAC1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-8-4-5-11(7-12(8)16)18-15-14(10(3)17-18)9(2)6-13(19)20-15/h4-7H,1-3H3
InChIKeyOYVIGFHVAVPGGL-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.56
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (PubChem CID 707140) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
PubChem CID707140
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-8-4-5-11(7-12(8)16)18-15-14(10(3)17-18)9(2)6-13(19)20-15/h4-7H,1-3H3
InChIKeyOYVIGFHVAVPGGL-UHFFFAOYSA-N
XLogP3.56
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chlorophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
CID 354609
1-(4-chlorophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
CID 696875
4-Methyl-1-phenyl-3-(trifluoromethyl)-1,6-dihydropyrano[2,3-c]pyrazol-6-one
CID 2799865
5-Ethyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one
CID 700657
3,4-dimethyl-1-(3-methylphenyl)pyrano[2,3-c]pyrazol-6(1H)-one
CID 1264987
1-(3-Chlorophenyl)-3-methyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
CID 2799856
1-(4-Chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrano[5,6-d]pyrazol-6-one
CID 699801
1-(3-chloro-4-fluorophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
CID 701445
3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6(1H)-one
CID 705812
1-(3,5-dichlorophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
CID 712454
3-Methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
CID 2799858
4-methyl-1,3-diphenylpyrano[2,3-c]pyrazol-6(1H)-one
CID 2799655

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (CID 707140) is 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is Cc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is OYVIGFHVAVPGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-8-4-5-11(7-12(8)16)18-15-14(10(3)17-18)9(2)6-13(19)20-15/h4-7H,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 288.73 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 707140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).