7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one

C11H9ClN4O — CID 117374889

IUPAC7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
SMILESNc1[nH]ncc1-c1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C11H9ClN4O/c12-6-1-5-2-9(17)15-10(5)7(3-6)8-4-14-16-11(8)13/h1,3-4H,2H2,(H,15,17)(H3,13,14,16)
InChIKeyYBZRXPXPDTWUMS-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.81
Rot. Bonds1

About 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one

7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one (PubChem CID 117374889) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
PubChem CID117374889
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
SMILESNc1[nH]ncc1-c1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C11H9ClN4O/c12-6-1-5-2-9(17)15-10(5)7(3-6)8-4-14-16-11(8)13/h1,3-4H,2H2,(H,15,17)(H3,13,14,16)
InChIKeyYBZRXPXPDTWUMS-UHFFFAOYSA-N
XLogP1.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
CID 117377961
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
CID 117416069
4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117347951
5-(5-amino-1H-pyrazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 117332229
7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
CID 82190651
7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one
CID 13408263
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
CID 117318863
7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
CID 82173346
7-chloro-5-(3,5-dichloro-4-pyridinyl)-1,3-dihydroindol-2-one
CID 122655698
3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 115003616
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117382466
5-chloro-7-(1-isocyanatocyclopropyl)-1,3-dihydroindol-2-one
CID 117374900

Frequently Asked Questions

What is the IUPAC name of 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one (CID 117374889) is 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one is Nc1[nH]ncc1-c1cc(Cl)cc2c1NC(=O)C2.
What is the InChIKey of 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is YBZRXPXPDTWUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-6-1-5-2-9(17)15-10(5)7(3-6)8-4-14-16-11(8)13/h1,3-4H,2H2,(H,15,17)(H3,13,14,16).
What are the key properties of 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one?
7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 248.67 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 117374889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).