3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one

C18H16N4O2 — CID 4187650

IUPAC3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one
SMILESCc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H16N4O2/c1-11-15(16(19)22(21-11)12-7-3-2-4-8-12)18(24)13-9-5-6-10-14(13)20-17(18)23/h2-10,24H,19H2,1H3,(H,20,23)
InChIKeyVDHWSDOVYSEUCJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.95
Rot. Bonds2

About 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one

3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one (PubChem CID 4187650) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one
PubChem CID4187650
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one
SMILESCc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H16N4O2/c1-11-15(16(19)22(21-11)12-7-3-2-4-8-12)18(24)13-9-5-6-10-14(13)20-17(18)23/h2-10,24H,19H2,1H3,(H,20,23)
InChIKeyVDHWSDOVYSEUCJ-UHFFFAOYSA-N
XLogP1.95
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one (CID 4187650) is 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one is Cc1nn(-c2ccccc2)c(N)c1C1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one?
The InChIKey is VDHWSDOVYSEUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-15(16(19)22(21-11)12-7-3-2-4-8-12)18(24)13-9-5-6-10-14(13)20-17(18)23/h2-10,24H,19H2,1H3,(H,20,23).
What are the key properties of 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one?
3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one has a molecular weight of 320.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 4187650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).