1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine

C16H21N5 — CID 105160306

IUPAC1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine
SMILESCCn1nc(CC(N)c2cnn(C)c2C)c2ccccc21
InChIInChI=1S/C16H21N5/c1-4-21-16-8-6-5-7-12(16)15(19-21)9-14(17)13-10-18-20(3)11(13)2/h5-8,10,14H,4,9,17H2,1-3H3
InChIKeyFIVIYEDBQUXRGD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.34
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine

1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine (PubChem CID 105160306) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine
PubChem CID105160306
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine
SMILESCCn1nc(CC(N)c2cnn(C)c2C)c2ccccc21
InChIInChI=1S/C16H21N5/c1-4-21-16-8-6-5-7-12(16)15(19-21)9-14(17)13-10-18-20(3)11(13)2/h5-8,10,14H,4,9,17H2,1-3H3
InChIKeyFIVIYEDBQUXRGD-UHFFFAOYSA-N
XLogP2.34
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 105160013
2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104999362
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
[2-(1-ethylindazol-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105317217
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443594
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425
3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
CID 116717506
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine (CID 105160306) is 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine is CCn1nc(CC(N)c2cnn(C)c2C)c2ccccc21.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine?
The InChIKey is FIVIYEDBQUXRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-21-16-8-6-5-7-12(16)15(19-21)9-14(17)13-10-18-20(3)11(13)2/h5-8,10,14H,4,9,17H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine has a molecular weight of 283.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine is sourced from PubChem (CID 105160306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).