1-(1-propan-2-ylpyrazol-3-yl)ethanamine

C8H15N3 — CID 102550785

IUPAC1-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(N)c1ccn(C(C)C)n1
InChIInChI=1S/C8H15N3/c1-6(2)11-5-4-8(10-11)7(3)9/h4-7H,9H2,1-3H3
InChIKeyLJYGIVNOQQDJEA-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.48
Rot. Bonds2

About 1-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 102550785) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID102550785
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(N)c1ccn(C(C)C)n1
InChIInChI=1S/C8H15N3/c1-6(2)11-5-4-8(10-11)7(3)9/h4-7H,9H2,1-3H3
InChIKeyLJYGIVNOQQDJEA-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 102550785) is 1-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)ethanamine is CC(N)c1ccn(C(C)C)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is LJYGIVNOQQDJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)11-5-4-8(10-11)7(3)9/h4-7H,9H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 102550785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).