5-propyl-1H-pyrazol-3-amine;hydrochloride

C6H12ClN3 — CID 54592669

IUPAC5-propyl-1H-pyrazol-3-amine;hydrochloride
SMILESCCCc1cc(N)n[nH]1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-2-3-5-4-6(7)9-8-5;/h4H,2-3H2,1H3,(H3,7,8,9);1H
InChIKeyLGXVYJWATARFML-UHFFFAOYSA-N
MW161.64 g/mol
LogP1.37
Rot. Bonds2

About 5-propyl-1H-pyrazol-3-amine;hydrochloride

5-propyl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 54592669) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is 5-propyl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-propyl-1H-pyrazol-3-amine;hydrochloride
PubChem CID54592669
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name5-propyl-1H-pyrazol-3-amine;hydrochloride
SMILESCCCc1cc(N)n[nH]1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-2-3-5-4-6(7)9-8-5;/h4H,2-3H2,1H3,(H3,7,8,9);1H
InChIKeyLGXVYJWATARFML-UHFFFAOYSA-N
XLogP1.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-propyl-1H-pyrazol-3-amine;hydrochloride (CID 54592669) is 5-propyl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-propyl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-propyl-1H-pyrazol-3-amine;hydrochloride is CCCc1cc(N)n[nH]1.Cl.
What is the InChIKey of 5-propyl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is LGXVYJWATARFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-2-3-5-4-6(7)9-8-5;/h4H,2-3H2,1H3,(H3,7,8,9);1H.
What are the key properties of 5-propyl-1H-pyrazol-3-amine;hydrochloride?
5-propyl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 54592669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).