5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one

C13H15N5O — CID 54982616

IUPAC5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1[nH]ncc1CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H15N5O/c1-7-9(6-16-18-7)5-15-12-4-11-8(2-10(12)14)3-13(19)17-11/h2,4,6,15H,3,5,14H2,1H3,(H,16,18)(H,17,19)
InChIKeyZNGZWILFNZDPRG-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.41
Rot. Bonds3

About 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one

5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 54982616) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID54982616
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1[nH]ncc1CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H15N5O/c1-7-9(6-16-18-7)5-15-12-4-11-8(2-10(12)14)3-13(19)17-11/h2,4,6,15H,3,5,14H2,1H3,(H,16,18)(H,17,19)
InChIKeyZNGZWILFNZDPRG-UHFFFAOYSA-N
XLogP1.41
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
5-amino-6-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451710
5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62057206
6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 54982377
5-amino-6-(pyridin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451711
5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 63293613
5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451706
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712117
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one (CID 54982616) is 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one is Cc1[nH]ncc1CNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is ZNGZWILFNZDPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-7-9(6-16-18-7)5-15-12-4-11-8(2-10(12)14)3-13(19)17-11/h2,4,6,15H,3,5,14H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 257.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 54982616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).