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

C18H14ClFN4O2 — CID 3960274

IUPAC3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESCc1nn(-c2ccc(Cl)cc2)c(N)c1C1(O)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C18H14ClFN4O2/c1-9-15(16(21)24(23-9)12-5-2-10(19)3-6-12)18(26)13-8-11(20)4-7-14(13)22-17(18)25/h2-8,26H,21H2,1H3,(H,22,25)
InChIKeyUUBOZMRULPNKHY-UHFFFAOYSA-N
MW372.79 g/mol
LogP2.74
Rot. Bonds2

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

3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one (PubChem CID 3960274) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one
PubChem CID3960274
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESCc1nn(-c2ccc(Cl)cc2)c(N)c1C1(O)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C18H14ClFN4O2/c1-9-15(16(21)24(23-9)12-5-2-10(19)3-6-12)18(26)13-8-11(20)4-7-14(13)22-17(18)25/h2-8,26H,21H2,1H3,(H,22,25)
InChIKeyUUBOZMRULPNKHY-UHFFFAOYSA-N
XLogP2.74
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one (CID 3960274) is 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one is Cc1nn(-c2ccc(Cl)cc2)c(N)c1C1(O)C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is UUBOZMRULPNKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-9-15(16(21)24(23-9)12-5-2-10(19)3-6-12)18(26)13-8-11(20)4-7-14(13)22-17(18)25/h2-8,26H,21H2,1H3,(H,22,25).
What are the key properties of 3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one?
3-[5-amino-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 372.79 g/mol, XLogP of 2.74, 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-chlorophenyl)-3-methylpyrazol-4-yl]-5-fluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 3960274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).