5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one

C12H12N4O — CID 82473851

IUPAC5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
SMILESNCc1cc(-c2ccc3c(c2)CC(=O)N3)n[nH]1
InChIInChI=1S/C12H12N4O/c13-6-9-5-11(16-15-9)7-1-2-10-8(3-7)4-12(17)14-10/h1-3,5H,4,6,13H2,(H,14,17)(H,15,16)
InChIKeyAVGPKWNRKMZMRC-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.03
Rot. Bonds2

About 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one

5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one (PubChem CID 82473851) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
PubChem CID82473851
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
SMILESNCc1cc(-c2ccc3c(c2)CC(=O)N3)n[nH]1
InChIInChI=1S/C12H12N4O/c13-6-9-5-11(16-15-9)7-1-2-10-8(3-7)4-12(17)14-10/h1-3,5H,4,6,13H2,(H,14,17)(H,15,16)
InChIKeyAVGPKWNRKMZMRC-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298805
5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 82360106
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804
5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
CID 116832496
[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine
CID 82474070
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
CID 82299815
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one (CID 82473851) is 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one is NCc1cc(-c2ccc3c(c2)CC(=O)N3)n[nH]1.
What is the InChIKey of 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is AVGPKWNRKMZMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-6-9-5-11(16-15-9)7-1-2-10-8(3-7)4-12(17)14-10/h1-3,5H,4,6,13H2,(H,14,17)(H,15,16).
What are the key properties of 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one?
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 228.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82473851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).