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

C12H12N4O — CID 117328790

IUPAC4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2c(-c3cn[nH]c3N)cccc21
InChIInChI=1S/C12H12N4O/c1-16-10-4-2-3-7(8(10)5-11(16)17)9-6-14-15-12(9)13/h2-4,6H,5H2,1H3,(H3,13,14,15)
InChIKeyOIKSJKCCNQLXFW-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.18
Rot. Bonds1

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

4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one (PubChem CID 117328790) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one
PubChem CID117328790
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2c(-c3cn[nH]c3N)cccc21
InChIInChI=1S/C12H12N4O/c1-16-10-4-2-3-7(8(10)5-11(16)17)9-6-14-15-12(9)13/h2-4,6H,5H2,1H3,(H3,13,14,15)
InChIKeyOIKSJKCCNQLXFW-UHFFFAOYSA-N
XLogP1.18
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one (CID 117328790) is 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2c(-c3cn[nH]c3N)cccc21.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one?
The InChIKey is OIKSJKCCNQLXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-10-4-2-3-7(8(10)5-11(16)17)9-6-14-15-12(9)13/h2-4,6H,5H2,1H3,(H3,13,14,15).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one?
4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one has a molecular weight of 228.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 117328790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).