2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine

C12H19N5 — CID 90942795

IUPAC2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(C(CN)n2nc(C)cc2C)n1
InChIInChI=1S/C12H19N5/c1-8-5-10(3)16(14-8)12(7-13)17-11(4)6-9(2)15-17/h5-6,12H,7,13H2,1-4H3
InChIKeyAKHXMWQXNDNGAK-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.32
Rot. Bonds3

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

2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 90942795) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID90942795
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(C(CN)n2nc(C)cc2C)n1
InChIInChI=1S/C12H19N5/c1-8-5-10(3)16(14-8)12(7-13)17-11(4)6-9(2)15-17/h5-6,12H,7,13H2,1-4H3
InChIKeyAKHXMWQXNDNGAK-UHFFFAOYSA-N
XLogP1.32
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine (CID 90942795) is 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine is Cc1cc(C)n(C(CN)n2nc(C)cc2C)n1.
What is the InChIKey of 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is AKHXMWQXNDNGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-5-10(3)16(14-8)12(7-13)17-11(4)6-9(2)15-17/h5-6,12H,7,13H2,1-4H3.
What are the key properties of 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine?
2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 90942795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).