4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one

C11H10N4O — CID 117305337

IUPAC4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one
SMILESNc1cc(-c2cccc3c2CC(=O)N3)[nH]n1
InChIInChI=1S/C11H10N4O/c12-10-5-9(14-15-10)6-2-1-3-8-7(6)4-11(16)13-8/h1-3,5H,4H2,(H,13,16)(H3,12,14,15)
InChIKeyHKJJMDVKXRRJJS-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.15
Rot. Bonds1

About 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one

4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one (PubChem CID 117305337) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one
PubChem CID117305337
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one
SMILESNc1cc(-c2cccc3c2CC(=O)N3)[nH]n1
InChIInChI=1S/C11H10N4O/c12-10-5-9(14-15-10)6-2-1-3-8-7(6)4-11(16)13-8/h1-3,5H,4H2,(H,13,16)(H3,12,14,15)
InChIKeyHKJJMDVKXRRJJS-UHFFFAOYSA-N
XLogP1.15
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-1,3-dihydroindol-2-one
CID 22561798
4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one
CID 175842176
5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid
CID 22135397
5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine
CID 117305701
4-(5-propan-2-yloxy-3-pyridinyl)-1,3-dihydroindol-2-one
CID 167982525
4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
CID 117354737
2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile
CID 22561891
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one
CID 162507639
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one (CID 117305337) is 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one is Nc1cc(-c2cccc3c2CC(=O)N3)[nH]n1.
What is the InChIKey of 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one?
The InChIKey is HKJJMDVKXRRJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-10-5-9(14-15-10)6-2-1-3-8-7(6)4-11(16)13-8/h1-3,5H,4H2,(H,13,16)(H3,12,14,15).
What are the key properties of 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one?
4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one has a molecular weight of 214.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazol-5-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 117305337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).