1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride

C5H11Cl2N3 — CID 21114808

IUPAC1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride
SMILESCC(N)c1ccn[nH]1.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-4(6)5-2-3-7-8-5;;/h2-4H,6H2,1H3,(H,7,8);2*1H
InChIKeyMEWRIHSHGPNYSX-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.27
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride

1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride (PubChem CID 21114808) has the molecular formula C5H11Cl2N3 and a molecular weight of 184.07 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride
PubChem CID21114808
Molecular FormulaC5H11Cl2N3
Molecular Weight184.07 g/mol
Exact Mass183.03
IUPAC Name1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride
SMILESCC(N)c1ccn[nH]1.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-4(6)5-2-3-7-8-5;;/h2-4H,6H2,1H3,(H,7,8);2*1H
InChIKeyMEWRIHSHGPNYSX-UHFFFAOYSA-N
XLogP1.27
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride (CID 21114808) is 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride is CC(N)c1ccn[nH]1.Cl.Cl.
What is the InChIKey of 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is MEWRIHSHGPNYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2ClH/c1-4(6)5-2-3-7-8-5;;/h2-4H,6H2,1H3,(H,7,8);2*1H.
What are the key properties of 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride?
1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride has a molecular weight of 184.07 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 21114808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).