2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine

C12H21N3 — CID 105461090

IUPAC2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine
SMILESCC(C)(C)n1ncc(CCN)c1C1CC1
InChIInChI=1S/C12H21N3/c1-12(2,3)15-11(9-4-5-9)10(6-7-13)8-14-15/h8-9H,4-7,13H2,1-3H3
InChIKeyNOUAIUJUXXXCCU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.02
Rot. Bonds3

About 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine

2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine (PubChem CID 105461090) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine
PubChem CID105461090
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine
SMILESCC(C)(C)n1ncc(CCN)c1C1CC1
InChIInChI=1S/C12H21N3/c1-12(2,3)15-11(9-4-5-9)10(6-7-13)8-14-15/h8-9H,4-7,13H2,1-3H3
InChIKeyNOUAIUJUXXXCCU-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine (CID 105461090) is 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine is CC(C)(C)n1ncc(CCN)c1C1CC1.
What is the InChIKey of 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine?
The InChIKey is NOUAIUJUXXXCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)15-11(9-4-5-9)10(6-7-13)8-14-15/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine?
2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105461090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).