1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one

C16H17FN2O — CID 65356803

IUPAC1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C16H17FN2O/c1-16(2)7-14-13(15(20)8-16)9-18-19(14)10-11-3-5-12(17)6-4-11/h3-6,9H,7-8,10H2,1-2H3
InChIKeyPGNOUUVQDNQAEM-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.23
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one

1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one (PubChem CID 65356803) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
PubChem CID65356803
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C16H17FN2O/c1-16(2)7-14-13(15(20)8-16)9-18-19(14)10-11-3-5-12(17)6-4-11/h3-6,9H,7-8,10H2,1-2H3
InChIKeyPGNOUUVQDNQAEM-UHFFFAOYSA-N
XLogP3.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one (CID 65356803) is 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2cnn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one?
The InChIKey is PGNOUUVQDNQAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-16(2)7-14-13(15(20)8-16)9-18-19(14)10-11-3-5-12(17)6-4-11/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one?
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one has a molecular weight of 272.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 65356803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).