1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one

C14H12N2O2 — CID 2799584

IUPAC1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one
SMILESCc1nn(C)c2oc(=O)cc(-c3ccccc3)c12
InChIInChI=1S/C14H12N2O2/c1-9-13-11(10-6-4-3-5-7-10)8-12(17)18-14(13)16(2)15-9/h3-8H,1-2H3
InChIKeyVHZIEKBRQSFOSP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.50
Rot. Bonds1

About 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one

1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one (PubChem CID 2799584) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one
PubChem CID2799584
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one
SMILESCc1nn(C)c2oc(=O)cc(-c3ccccc3)c12
InChIInChI=1S/C14H12N2O2/c1-9-13-11(10-6-4-3-5-7-10)8-12(17)18-14(13)16(2)15-9/h3-8H,1-2H3
InChIKeyVHZIEKBRQSFOSP-UHFFFAOYSA-N
XLogP2.50
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-3-phenyl-1H-pyrano[2,3-c]pyrazol-6-one
CID 654655
4-Methyl-1-phenyl-3-(trifluoromethyl)-1,6-dihydropyrano[2,3-c]pyrazol-6-one
CID 2799865
Pyrano(2,3-c)pyrazol-6(1H)-one, 1,3,4-trimethyl-
CID 201284
5-Ethyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one
CID 700657
6-Amino-1,3-dimethyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitril
CID 89649444
Pyrano(2,3-c)pyrazol-6-one, 2,3,4-trimethyl-
CID 3071121
[2-(2-Cyanoethyl)-5-methylpyrazol-3-yl] benzoate
CID 2366780
1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluorobenzoate
CID 44537803
3,4-dimethyl-1-(3-methylphenyl)pyrano[2,3-c]pyrazol-6(1H)-one
CID 1264987
3,4-Dimethyl-1-pentylpyrano[2,3-c]pyrazol-6(1H)-one
CID 44366958
2-Benzoyl-3,4-dimethylpyrano[2,3-c]pyrazol-6(2H)-one
CID 44367034
3,4-Dimethyl-2-pentylpyrano[2,3-c]pyrazol-6(2H)-one
CID 44367199

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one (CID 2799584) is 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one is Cc1nn(C)c2oc(=O)cc(-c3ccccc3)c12.
What is the InChIKey of 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is VHZIEKBRQSFOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-13-11(10-6-4-3-5-7-10)8-12(17)18-14(13)16(2)15-9/h3-8H,1-2H3.
What are the key properties of 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one?
1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 240.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-phenylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 2799584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).