1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one

C15H19N3O — CID 62038577

IUPAC1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1[nH]ncc1CCCn1ccc2c1CCCC2=O
InChIInChI=1S/C15H19N3O/c1-11-12(10-16-17-11)4-3-8-18-9-7-13-14(18)5-2-6-15(13)19/h7,9-10H,2-6,8H2,1H3,(H,16,17)
InChIKeyCXDMTHRCCVIFSK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.67
Rot. Bonds4

About 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one

1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 62038577) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one
PubChem CID62038577
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1[nH]ncc1CCCn1ccc2c1CCCC2=O
InChIInChI=1S/C15H19N3O/c1-11-12(10-16-17-11)4-3-8-18-9-7-13-14(18)5-2-6-15(13)19/h7,9-10H,2-6,8H2,1H3,(H,16,17)
InChIKeyCXDMTHRCCVIFSK-UHFFFAOYSA-N
XLogP2.67
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ibudilast
CID 3671
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6900541
N'-(4-Fluorobenzylidene)-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazide
CID 9594599
6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one
CID 712791
3-Pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one
CID 3237304
N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6875058
(2-((1H-indazol-6-yl)methylamino)phenyl)(6-methyl-1H-indol-3-yl)methanone
CID 11257497
KC 764
CID 146826
N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1H-indole-3-carbohydrazide
CID 5412211
(3-aminophenyl)-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazol-6-yl]methanone
CID 135779184
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-1H-indole-3-carbohydrazide
CID 5412209

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one (CID 62038577) is 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one is Cc1[nH]ncc1CCCn1ccc2c1CCCC2=O.
What is the InChIKey of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is CXDMTHRCCVIFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-12(10-16-17-11)4-3-8-18-9-7-13-14(18)5-2-6-15(13)19/h7,9-10H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one?
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 62038577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).