1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine

C12H21N3 — CID 83833959

IUPAC1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(C)(N)C2CC2)n(C)n1
InChIInChI=1S/C12H21N3/c1-8(2)10-7-11(15(4)14-10)12(3,13)9-5-6-9/h7-9H,5-6,13H2,1-4H3
InChIKeyLXGWXXKBLLIYQH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds3

About 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine

1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine (PubChem CID 83833959) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
PubChem CID83833959
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(C)(N)C2CC2)n(C)n1
InChIInChI=1S/C12H21N3/c1-8(2)10-7-11(15(4)14-10)12(3,13)9-5-6-9/h7-9H,5-6,13H2,1-4H3
InChIKeyLXGWXXKBLLIYQH-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine (CID 83833959) is 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine is CC(C)c1cc(C(C)(N)C2CC2)n(C)n1.
What is the InChIKey of 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The InChIKey is LXGWXXKBLLIYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)10-7-11(15(4)14-10)12(3,13)9-5-6-9/h7-9H,5-6,13H2,1-4H3.
What are the key properties of 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 83833959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).