2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine

C10H19N3 — CID 23005875

IUPAC2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
SMILESCc1nn(C(C)C)c(C)c1CCN
InChIInChI=1S/C10H19N3/c1-7(2)13-9(4)10(5-6-11)8(3)12-13/h7H,5-6,11H2,1-4H3
InChIKeyKBKDAWLMKMETRV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds3

About 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine

2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine (PubChem CID 23005875) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
PubChem CID23005875
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
SMILESCc1nn(C(C)C)c(C)c1CCN
InChIInChI=1S/C10H19N3/c1-7(2)13-9(4)10(5-6-11)8(3)12-13/h7H,5-6,11H2,1-4H3
InChIKeyKBKDAWLMKMETRV-UHFFFAOYSA-N
XLogP1.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine (CID 23005875) is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine is Cc1nn(C(C)C)c(C)c1CCN.
What is the InChIKey of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine?
The InChIKey is KBKDAWLMKMETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)13-9(4)10(5-6-11)8(3)12-13/h7H,5-6,11H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine?
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 23005875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).