N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine

C17H19N3 — CID 137366130

IUPACN,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine
SMILESCc1ccccc1-c1ccc2n[nH]c(CN(C)C)c2c1
InChIInChI=1S/C17H19N3/c1-12-6-4-5-7-14(12)13-8-9-16-15(10-13)17(19-18-16)11-20(2)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyWZRONBNNIUTGAV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.60
Rot. Bonds3

About N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine

N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine (PubChem CID 137366130) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine
PubChem CID137366130
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine
SMILESCc1ccccc1-c1ccc2n[nH]c(CN(C)C)c2c1
InChIInChI=1S/C17H19N3/c1-12-6-4-5-7-14(12)13-8-9-16-15(10-13)17(19-18-16)11-20(2)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyWZRONBNNIUTGAV-UHFFFAOYSA-N
XLogP3.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine (CID 137366130) is N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine is Cc1ccccc1-c1ccc2n[nH]c(CN(C)C)c2c1.
What is the InChIKey of N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine?
The InChIKey is WZRONBNNIUTGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-6-4-5-7-14(12)13-8-9-16-15(10-13)17(19-18-16)11-20(2)3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine?
N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine is sourced from PubChem (CID 137366130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).