3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one

C13H14N4O — CID 114996949

IUPAC3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one
SMILESCn1cc(CN2C(=O)C(N)c3ccccc32)cn1
InChIInChI=1S/C13H14N4O/c1-16-7-9(6-15-16)8-17-11-5-3-2-4-10(11)12(14)13(17)18/h2-7,12H,8,14H2,1H3
InChIKeyFLTDNHJIEJYNOR-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.97
Rot. Bonds2

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

3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one (PubChem CID 114996949) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one
PubChem CID114996949
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one
SMILESCn1cc(CN2C(=O)C(N)c3ccccc32)cn1
InChIInChI=1S/C13H14N4O/c1-16-7-9(6-15-16)8-17-11-5-3-2-4-10(11)12(14)13(17)18/h2-7,12H,8,14H2,1H3
InChIKeyFLTDNHJIEJYNOR-UHFFFAOYSA-N
XLogP0.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one (CID 114996949) is 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one is Cn1cc(CN2C(=O)C(N)c3ccccc32)cn1.
What is the InChIKey of 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one?
The InChIKey is FLTDNHJIEJYNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-16-7-9(6-15-16)8-17-11-5-3-2-4-10(11)12(14)13(17)18/h2-7,12H,8,14H2,1H3.
What are the key properties of 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one?
3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one has a molecular weight of 242.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methylpyrazol-4-yl)methyl]-3H-indol-2-one is sourced from PubChem (CID 114996949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).