4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one

C20H16N2O2 — CID 50887690

IUPAC4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one
SMILESCc1ccccc1-n1nc(-c2ccccc2)c2c(C)cc(=O)oc21
InChIInChI=1S/C20H16N2O2/c1-13-8-6-7-11-16(13)22-20-18(14(2)12-17(23)24-20)19(21-22)15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyMTCJHEVHWAPDDA-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.26
Rot. Bonds2

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

4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one (PubChem CID 50887690) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one
PubChem CID50887690
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one
SMILESCc1ccccc1-n1nc(-c2ccccc2)c2c(C)cc(=O)oc21
InChIInChI=1S/C20H16N2O2/c1-13-8-6-7-11-16(13)22-20-18(14(2)12-17(23)24-20)19(21-22)15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyMTCJHEVHWAPDDA-UHFFFAOYSA-N
XLogP4.26
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one (CID 50887690) is 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one is Cc1ccccc1-n1nc(-c2ccccc2)c2c(C)cc(=O)oc21.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is MTCJHEVHWAPDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-8-6-7-11-16(13)22-20-18(14(2)12-17(23)24-20)19(21-22)15-9-4-3-5-10-15/h3-12H,1-2H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one?
4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 316.36 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)-3-phenylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 50887690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).