1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one

C20H18N2O — CID 12847969

IUPAC1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c1-c1ccccc1C2=O
InChIInChI=1S/C20H18N2O/c1-20(2,3)22-18-14-11-7-8-12-15(14)19(23)16(18)17(21-22)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyHJNPQSUTZIVZDQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.52
Rot. Bonds1

About 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one

1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one (PubChem CID 12847969) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one.

Molecular Properties

Compound Name1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one
PubChem CID12847969
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c1-c1ccccc1C2=O
InChIInChI=1S/C20H18N2O/c1-20(2,3)22-18-14-11-7-8-12-15(14)19(23)16(18)17(21-22)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyHJNPQSUTZIVZDQ-UHFFFAOYSA-N
XLogP4.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-phenylindazole
CID 59633775
3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one
CID 15194305
3-phenylbenzo[f][1,2]benzoxazole-4,9-dione
CID 15185268
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
1-tert-butyl-3-phenylpyrazole-4-carboxylic acid
CID 39095963
1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)indeno[2,1-d]pyrazol-4-one
CID 139237479
2-tert-butyl-4-(4-chlorophenyl)phthalazin-1-one
CID 3974209
3-methyl-2-phenylindeno[1,2-d]imidazol-4-one
CID 86059747
2-tert-butyl-1,2,4-benzotriazin-3-one
CID 11447027
3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one
CID 3269585
3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid
CID 11631073
3-acetyl-1-methylbenzo[f]indazole-4,9-dione
CID 101064119

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one?
The IUPAC name of 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one (CID 12847969) is 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one.
What is the SMILES notation for 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one?
The canonical SMILES for 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one is CC(C)(C)n1nc(-c2ccccc2)c2c1-c1ccccc1C2=O.
What is the InChIKey of 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one?
The InChIKey is HJNPQSUTZIVZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-20(2,3)22-18-14-11-7-8-12-15(14)19(23)16(18)17(21-22)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one?
1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one has a molecular weight of 302.38 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-phenylindeno[2,1-d]pyrazol-4-one is sourced from PubChem (CID 12847969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).