3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one

C18H15FN4O2 — CID 5078178

IUPAC3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one
SMILESCc1nn(-c2ccc(F)cc2)c(N)c1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H15FN4O2/c1-10-15(16(20)23(22-10)12-8-6-11(19)7-9-12)18(25)13-4-2-3-5-14(13)21-17(18)24/h2-9,25H,20H2,1H3,(H,21,24)
InChIKeyLDBWOSACXPZMBE-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.09
Rot. Bonds2

About 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one

3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one (PubChem CID 5078178) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one
PubChem CID5078178
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one
SMILESCc1nn(-c2ccc(F)cc2)c(N)c1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H15FN4O2/c1-10-15(16(20)23(22-10)12-8-6-11(19)7-9-12)18(25)13-4-2-3-5-14(13)21-17(18)24/h2-9,25H,20H2,1H3,(H,21,24)
InChIKeyLDBWOSACXPZMBE-UHFFFAOYSA-N
XLogP2.09
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-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 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one (CID 5078178) is 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one is Cc1nn(-c2ccc(F)cc2)c(N)c1C1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The InChIKey is LDBWOSACXPZMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-10-15(16(20)23(22-10)12-8-6-11(19)7-9-12)18(25)13-4-2-3-5-14(13)21-17(18)24/h2-9,25H,20H2,1H3,(H,21,24).
What are the key properties of 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one has a molecular weight of 338.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 5078178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).