1-(1H-pyrazol-4-yl)ethanamine

C5H9N3 — CID 62731705

IUPAC1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(N)c1cn[nH]c1
InChIInChI=1S/C5H9N3/c1-4(6)5-2-7-8-3-5/h2-4H,6H2,1H3,(H,7,8)
InChIKeyRPDQDVLOUJVEEX-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.43
Rot. Bonds1

About 1-(1H-pyrazol-4-yl)ethanamine

1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 62731705) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)ethanamine
PubChem CID62731705
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(N)c1cn[nH]c1
InChIInChI=1S/C5H9N3/c1-4(6)5-2-7-8-3-5/h2-4H,6H2,1H3,(H,7,8)
InChIKeyRPDQDVLOUJVEEX-UHFFFAOYSA-N
XLogP0.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 1-(1H-pyrazol-4-yl)ethanamine (CID 62731705) is 1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(1H-pyrazol-4-yl)ethanamine is CC(N)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is RPDQDVLOUJVEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4(6)5-2-7-8-3-5/h2-4H,6H2,1H3,(H,7,8).
What are the key properties of 1-(1H-pyrazol-4-yl)ethanamine?
1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 111.15 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 62731705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).