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

C14H17N3 — CID 114081063

IUPACN-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(-c3ccnn3C)cccc21
InChIInChI=1S/C14H17N3/c1-15-13-7-6-10-11(13)4-3-5-12(10)14-8-9-16-17(14)2/h3-5,8-9,13,15H,6-7H2,1-2H3
InChIKeyXDDYZOTWAIWFKZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.29
Rot. Bonds2

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

N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114081063) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114081063
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(-c3ccnn3C)cccc21
InChIInChI=1S/C14H17N3/c1-15-13-7-6-10-11(13)4-3-5-12(10)14-8-9-16-17(14)2/h3-5,8-9,13,15H,6-7H2,1-2H3
InChIKeyXDDYZOTWAIWFKZ-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine (CID 114081063) is N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c(-c3ccnn3C)cccc21.
What is the InChIKey of N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XDDYZOTWAIWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-15-13-7-6-10-11(13)4-3-5-12(10)14-8-9-16-17(14)2/h3-5,8-9,13,15H,6-7H2,1-2H3.
What are the key properties of N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine?
N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114081063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).