5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one

C12H9N3O2 — CID 114988363

IUPAC5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3cn[nH]c3)ccc2N1
InChIInChI=1S/C12H9N3O2/c16-11-4-8-3-7(1-2-10(8)15-11)12(17)9-5-13-14-6-9/h1-3,5-6H,4H2,(H,13,14)(H,15,16)
InChIKeyFMMYNCXZAZRARV-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.14
Rot. Bonds2

About 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one

5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 114988363) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one
PubChem CID114988363
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3cn[nH]c3)ccc2N1
InChIInChI=1S/C12H9N3O2/c16-11-4-8-3-7(1-2-10(8)15-11)12(17)9-5-13-14-6-9/h1-3,5-6H,4H2,(H,13,14)(H,15,16)
InChIKeyFMMYNCXZAZRARV-UHFFFAOYSA-N
XLogP1.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43338590
5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
CID 62198656
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
5-(2-iodobenzoyl)-1,3-dihydroindol-2-one
CID 43338616
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
CID 114988519

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one (CID 114988363) is 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)c3cn[nH]c3)ccc2N1.
What is the InChIKey of 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is FMMYNCXZAZRARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-11-4-8-3-7(1-2-10(8)15-11)12(17)9-5-13-14-6-9/h1-3,5-6H,4H2,(H,13,14)(H,15,16).
What are the key properties of 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one?
5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114988363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).