2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine

C17H19N3 — CID 175730267

IUPAC2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccccc1-c1cccc2[nH]ncc12
InChIInChI=1S/C17H19N3/c1-20(2)11-10-13-6-3-4-7-14(13)15-8-5-9-17-16(15)12-18-19-17/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyJLULZAQATIBPGG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine

2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine (PubChem CID 175730267) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine
PubChem CID175730267
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccccc1-c1cccc2[nH]ncc12
InChIInChI=1S/C17H19N3/c1-20(2)11-10-13-6-3-4-7-14(13)15-8-5-9-17-16(15)12-18-19-17/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyJLULZAQATIBPGG-UHFFFAOYSA-N
XLogP3.33
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
3-(dimethylamino)-N-(1H-indazol-4-yl)propanamide
CID 110481555
2-[3-(1H-indazol-4-yl)-4-(1-methylpyrazol-1-ium-1-yl)phenoxy]-N,N-dimethylethanamine
CID 68640887
2-(1H-indazol-4-yl)quinazoline
CID 91393961
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 167756321
4-[2-(dimethylamino)ethyl]-1H-pyrazol-5-amine
CID 68573940
N-(1H-indazol-4-ylmethyl)aniline
CID 91506728
1-[6-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 68641089
3-(1H-indazol-4-yl)-2,1-benzothiazole
CID 166359807
CID 174665708
CID 174665708
2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
CID 129352529

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine (CID 175730267) is 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine is CN(C)CCc1ccccc1-c1cccc2[nH]ncc12.
What is the InChIKey of 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine?
The InChIKey is JLULZAQATIBPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20(2)11-10-13-6-3-4-7-14(13)15-8-5-9-17-16(15)12-18-19-17/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine?
2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 175730267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).