1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C16H21N3 — CID 43247638

IUPAC1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cccc(CNC2CCCc3c2cnn3C)c1
InChIInChI=1S/C16H21N3/c1-12-5-3-6-13(9-12)10-17-15-7-4-8-16-14(15)11-18-19(16)2/h3,5-6,9,11,15,17H,4,7-8,10H2,1-2H3
InChIKeyYAEZAILHLOWTJI-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.90
Rot. Bonds3

About 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43247638) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43247638
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cccc(CNC2CCCc3c2cnn3C)c1
InChIInChI=1S/C16H21N3/c1-12-5-3-6-13(9-12)10-17-15-7-4-8-16-14(15)11-18-19(16)2/h3,5-6,9,11,15,17H,4,7-8,10H2,1-2H3
InChIKeyYAEZAILHLOWTJI-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 43247638) is 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1cccc(CNC2CCCc3c2cnn3C)c1.
What is the InChIKey of 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is YAEZAILHLOWTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-5-3-6-13(9-12)10-17-15-7-4-8-16-14(15)11-18-19(16)2/h3,5-6,9,11,15,17H,4,7-8,10H2,1-2H3.
What are the key properties of 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43247638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).