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

C11H9N3O — CID 175842176

IUPAC4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cccc2-c2cn[nH]c2)N1
InChIInChI=1S/C11H9N3O/c15-11-4-9-8(7-5-12-13-6-7)2-1-3-10(9)14-11/h1-3,5-6H,4H2,(H,12,13)(H,14,15)
InChIKeyMFGJCCQWXRYWCZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.57
Rot. Bonds1

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

4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one (PubChem CID 175842176) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one
PubChem CID175842176
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cccc2-c2cn[nH]c2)N1
InChIInChI=1S/C11H9N3O/c15-11-4-9-8(7-5-12-13-6-7)2-1-3-10(9)14-11/h1-3,5-6H,4H2,(H,12,13)(H,14,15)
InChIKeyMFGJCCQWXRYWCZ-UHFFFAOYSA-N
XLogP1.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one (CID 175842176) is 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one is O=C1Cc2c(cccc2-c2cn[nH]c2)N1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is MFGJCCQWXRYWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11-4-9-8(7-5-12-13-6-7)2-1-3-10(9)14-11/h1-3,5-6H,4H2,(H,12,13)(H,14,15).
What are the key properties of 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one?
4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 199.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 175842176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).