3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one

C12H12N4O — CID 43534975

IUPAC3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
SMILESCn1cc(NC2C(=O)Nc3ccccc32)cn1
InChIInChI=1S/C12H12N4O/c1-16-7-8(6-13-16)14-11-9-4-2-3-5-10(9)15-12(11)17/h2-7,11,14H,1H3,(H,15,17)
InChIKeyKIFBIKBLSCUBAX-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.53
Rot. Bonds2

About 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one

3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 43534975) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
PubChem CID43534975
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
SMILESCn1cc(NC2C(=O)Nc3ccccc32)cn1
InChIInChI=1S/C12H12N4O/c1-16-7-8(6-13-16)14-11-9-4-2-3-5-10(9)15-12(11)17/h2-7,11,14H,1H3,(H,15,17)
InChIKeyKIFBIKBLSCUBAX-UHFFFAOYSA-N
XLogP1.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(naphthalen-2-ylamino)-1,3-dihydroindol-2-one
CID 43680278
methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate
CID 43139137
3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43380600
1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine
CID 43635519
N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine
CID 43534709
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
3-(1H-indazol-7-ylamino)-1,3-dihydroindol-2-one
CID 43730911
3-[(2-tert-butylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 43673902
3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one
CID 43681327
N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
CID 43534907
3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
CID 79770473
N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
CID 91811702

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one (CID 43534975) is 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one is Cn1cc(NC2C(=O)Nc3ccccc32)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is KIFBIKBLSCUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-7-8(6-13-16)14-11-9-4-2-3-5-10(9)15-12(11)17/h2-7,11,14H,1H3,(H,15,17).
What are the key properties of 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 228.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43534975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).