1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

C16H24N4 — CID 107464600

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCCc1nn(C)cc1-n1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C16H24N4/c1-5-13-15(10-19(4)18-13)20-7-6-11-12(17)8-16(2,3)9-14(11)20/h6-7,10,12H,5,8-9,17H2,1-4H3
InChIKeyNPRMNWMASGVSAT-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.75
Rot. Bonds2

About 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 107464600) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID107464600
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCCc1nn(C)cc1-n1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C16H24N4/c1-5-13-15(10-19(4)18-13)20-7-6-11-12(17)8-16(2,3)9-14(11)20/h6-7,10,12H,5,8-9,17H2,1-4H3
InChIKeyNPRMNWMASGVSAT-UHFFFAOYSA-N
XLogP2.75
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465934
1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63464845
6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine
CID 107645961
1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465018
6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine
CID 62902164
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 115991601
1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 106900702
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 115991594
1-cyclobutyl-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 62415611
1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466459
6,6-dimethyl-1-(3-pyrrolidin-1-ylpropyl)-5,7-dihydro-4H-indol-4-amine
CID 62993220
1-(3,5-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 64734465

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 107464600) is 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is CCc1nn(C)cc1-n1ccc2c1CC(C)(C)CC2N.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is NPRMNWMASGVSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-13-15(10-19(4)18-13)20-7-6-11-12(17)8-16(2,3)9-14(11)20/h6-7,10,12H,5,8-9,17H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 272.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 107464600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).