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

C16H24N4 — CID 115991601

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1nn(C)cc1Cn1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C16H24N4/c1-11-12(9-19(4)18-11)10-20-6-5-13-14(17)7-16(2,3)8-15(13)20/h5-6,9,14H,7-8,10,17H2,1-4H3
InChIKeyURUZHLXFEWDTRC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.55
Rot. Bonds2

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

1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 115991601) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID115991601
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1nn(C)cc1Cn1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C16H24N4/c1-11-12(9-19(4)18-11)10-20-6-5-13-14(17)7-16(2,3)8-15(13)20/h5-6,9,14H,7-8,10,17H2,1-4H3
InChIKeyURUZHLXFEWDTRC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 115991601) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is Cc1nn(C)cc1Cn1ccc2c1CC(C)(C)CC2N.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is URUZHLXFEWDTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11-12(9-19(4)18-11)10-20-6-5-13-14(17)7-16(2,3)8-15(13)20/h5-6,9,14H,7-8,10,17H2,1-4H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 272.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 115991601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).