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

C14H17N3O — CID 112671925

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1nn(C)cc1Cn1ccc2c1CCCC2=O
InChIInChI=1S/C14H17N3O/c1-10-11(8-16(2)15-10)9-17-7-6-12-13(17)4-3-5-14(12)18/h6-8H,3-5,9H2,1-2H3
InChIKeyNVRCUUZLOBUCQG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.10
Rot. Bonds2

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

1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 112671925) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
PubChem CID112671925
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1nn(C)cc1Cn1ccc2c1CCCC2=O
InChIInChI=1S/C14H17N3O/c1-10-11(8-16(2)15-10)9-17-7-6-12-13(17)4-3-5-14(12)18/h6-8H,3-5,9H2,1-2H3
InChIKeyNVRCUUZLOBUCQG-UHFFFAOYSA-N
XLogP2.10
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
CID 79238113
1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one
CID 55053043
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 115991601
1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
CID 114124699
1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
CID 104765340
N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
CID 114175400
1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
CID 83114594
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 67312056
9-[(1,3-dimethylpyrazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 112672014
N-(2-methylpropyl)-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propanamide
CID 113411042

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one (CID 112671925) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one is Cc1nn(C)cc1Cn1ccc2c1CCCC2=O.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is NVRCUUZLOBUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-11(8-16(2)15-10)9-17-7-6-12-13(17)4-3-5-14(12)18/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 112671925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).