3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one

C19H15N3O2 — CID 902164

IUPAC3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one
SMILESCc1ccc(-c2cc3nn(-c4ccccc4)c(N)c3c(=O)o2)cc1
InChIInChI=1S/C19H15N3O2/c1-12-7-9-13(10-8-12)16-11-15-17(19(23)24-16)18(20)22(21-15)14-5-3-2-4-6-14/h2-11H,20H2,1H3
InChIKeyDXQJQYREKFDBNN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.54
Rot. Bonds2

About 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one

3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one (PubChem CID 902164) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one
PubChem CID902164
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one
SMILESCc1ccc(-c2cc3nn(-c4ccccc4)c(N)c3c(=O)o2)cc1
InChIInChI=1S/C19H15N3O2/c1-12-7-9-13(10-8-12)16-11-15-17(19(23)24-16)18(20)22(21-15)14-5-3-2-4-6-14/h2-11H,20H2,1H3
InChIKeyDXQJQYREKFDBNN-UHFFFAOYSA-N
XLogP3.54
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.54
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(1H)-one
CID 722801
3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902166
3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 1214727
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
6-(2-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135472121
methyl 4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl)benzoate
CID 44051569
methyl 5-amino-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 20888103

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one?
The IUPAC name of 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one (CID 902164) is 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one.
What is the SMILES notation for 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one?
The canonical SMILES for 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one is Cc1ccc(-c2cc3nn(-c4ccccc4)c(N)c3c(=O)o2)cc1.
What is the InChIKey of 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one?
The InChIKey is DXQJQYREKFDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-7-9-13(10-8-12)16-11-15-17(19(23)24-16)18(20)22(21-15)14-5-3-2-4-6-14/h2-11H,20H2,1H3.
What are the key properties of 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one?
3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one has a molecular weight of 317.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4-one is sourced from PubChem (CID 902164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).