3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one

C18H13N3O2 — CID 902166

IUPAC3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one
SMILESNc1c2c(=O)oc(-c3ccccc3)cc2nn1-c1ccccc1
InChIInChI=1S/C18H13N3O2/c19-17-16-14(20-21(17)13-9-5-2-6-10-13)11-15(23-18(16)22)12-7-3-1-4-8-12/h1-11H,19H2
InChIKeyWFCWTIXSLGAZTA-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.23
Rot. Bonds2

About 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one

3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one (PubChem CID 902166) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one
PubChem CID902166
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one
SMILESNc1c2c(=O)oc(-c3ccccc3)cc2nn1-c1ccccc1
InChIInChI=1S/C18H13N3O2/c19-17-16-14(20-21(17)13-9-5-2-6-10-13)11-15(23-18(16)22)12-7-3-1-4-8-12/h1-11H,19H2
InChIKeyWFCWTIXSLGAZTA-UHFFFAOYSA-N
XLogP3.23
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl-
CID 692942
6-(4-Methylphenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one
CID 722801
6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 692962
3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 1214727
3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902164
6-(3-Fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
CID 3266465
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-phenyl-
CID 3087662
Methyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate
CID 5309817
2-Ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 44573824
2-Ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate
CID 44573825
2-Ethoxyethyl 5-amino-1-(4-methylphenyl)-3-propan-2-ylpyrazole-4-carboxylate
CID 44573935
3-amino-6-(2-methoxyphenyl)-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136068610

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one?
The IUPAC name of 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one (CID 902166) is 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one.
What is the SMILES notation for 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one?
The canonical SMILES for 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one is Nc1c2c(=O)oc(-c3ccccc3)cc2nn1-c1ccccc1.
What is the InChIKey of 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one?
The InChIKey is WFCWTIXSLGAZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c19-17-16-14(20-21(17)13-9-5-2-6-10-13)11-15(23-18(16)22)12-7-3-1-4-8-12/h1-11H,19H2.
What are the key properties of 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one?
3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one has a molecular weight of 303.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4-one is sourced from PubChem (CID 902166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).