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

C14H11ClN2O2 — CID 696875

IUPAC1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1cc(=O)oc2c1c(C)nn2-c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c1-8-7-12(18)19-14-13(8)9(2)16-17(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3
InChIKeyYUUPOEIPCKZQSL-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.25
Rot. Bonds1

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

1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (PubChem CID 696875) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
PubChem CID696875
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1cc(=O)oc2c1c(C)nn2-c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c1-8-7-12(18)19-14-13(8)9(2)16-17(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3
InChIKeyYUUPOEIPCKZQSL-UHFFFAOYSA-N
XLogP3.25
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.25
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-Bromophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
CID 555905
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
Ethyl (3,4-dimethyl-6-oxo-1-phenyl-1,6-dihydropyrano[2,3-c]pyrazol-5-yl)acetate
CID 674767
1-(4-chlorophenyl)-5-methoxy-3-methyl-1H-pyrazole
CID 2318102
2-(4-Chlorophenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4(2H)-one
CID 13584467
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
5-Chloro-3,6-dimethyl-1-phenylpyrano(2,3-c)pyrazol-4(1H)-one
CID 338688
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (CID 696875) is 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is Cc1cc(=O)oc2c1c(C)nn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is YUUPOEIPCKZQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-8-7-12(18)19-14-13(8)9(2)16-17(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 274.71 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 696875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).