3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one

C20H20N4O2 — CID 4077311

IUPAC3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
SMILESCc1ccc(-n2nc(C)c(C3(O)C(=O)N(C)c4ccccc43)c2N)cc1
InChIInChI=1S/C20H20N4O2/c1-12-8-10-14(11-9-12)24-18(21)17(13(2)22-24)20(26)15-6-4-5-7-16(15)23(3)19(20)25/h4-11,26H,21H2,1-3H3
InChIKeyGJMMLBPASVWOKL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.28
Rot. Bonds2

About 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one

3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one (PubChem CID 4077311) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
PubChem CID4077311
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
SMILESCc1ccc(-n2nc(C)c(C3(O)C(=O)N(C)c4ccccc43)c2N)cc1
InChIInChI=1S/C20H20N4O2/c1-12-8-10-14(11-9-12)24-18(21)17(13(2)22-24)20(26)15-6-4-5-7-16(15)23(3)19(20)25/h4-11,26H,21H2,1-3H3
InChIKeyGJMMLBPASVWOKL-UHFFFAOYSA-N
XLogP2.28
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The IUPAC name of 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one (CID 4077311) is 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one is Cc1ccc(-n2nc(C)c(C3(O)C(=O)N(C)c4ccccc43)c2N)cc1.
What is the InChIKey of 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The InChIKey is GJMMLBPASVWOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-8-10-14(11-9-12)24-18(21)17(13(2)22-24)20(26)15-6-4-5-7-16(15)23(3)19(20)25/h4-11,26H,21H2,1-3H3.
What are the key properties of 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 4077311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).