6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H19N3 — CID 78948037

IUPAC6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1cnn(C)c1)CC2
InChIInChI=1S/C15H19N3/c1-11-3-4-13-5-6-15(14(13)7-11)16-8-12-9-17-18(2)10-12/h3-4,7,9-10,15-16H,5-6,8H2,1-2H3
InChIKeyPIXCSZYHDMHKDO-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.51
Rot. Bonds3

About 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 78948037) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID78948037
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1cnn(C)c1)CC2
InChIInChI=1S/C15H19N3/c1-11-3-4-13-5-6-15(14(13)7-11)16-8-12-9-17-18(2)10-12/h3-4,7,9-10,15-16H,5-6,8H2,1-2H3
InChIKeyPIXCSZYHDMHKDO-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 78948037) is 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCc1cnn(C)c1)CC2.
What is the InChIKey of 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PIXCSZYHDMHKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-3-4-13-5-6-15(14(13)7-11)16-8-12-9-17-18(2)10-12/h3-4,7,9-10,15-16H,5-6,8H2,1-2H3.
What are the key properties of 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78948037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).