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

C10H17N3 — CID 83828117

IUPAC1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(C)(N)C2CC2)n(C)n1
InChIInChI=1S/C10H17N3/c1-7-6-9(13(3)12-7)10(2,11)8-4-5-8/h6,8H,4-5,11H2,1-3H3
InChIKeyPACPBZGECMIFKU-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.31
Rot. Bonds2

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

1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine (PubChem CID 83828117) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine
PubChem CID83828117
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(C)(N)C2CC2)n(C)n1
InChIInChI=1S/C10H17N3/c1-7-6-9(13(3)12-7)10(2,11)8-4-5-8/h6,8H,4-5,11H2,1-3H3
InChIKeyPACPBZGECMIFKU-UHFFFAOYSA-N
XLogP1.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine (CID 83828117) is 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine is Cc1cc(C(C)(N)C2CC2)n(C)n1.
What is the InChIKey of 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The InChIKey is PACPBZGECMIFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-6-9(13(3)12-7)10(2,11)8-4-5-8/h6,8H,4-5,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 83828117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).