3-(1H-pyrazol-4-yl)propylazanium

C6H12N3+ — CID 7875888

IUPAC3-(1H-pyrazol-4-yl)propylazanium
SMILES[NH3+]CCCc1cn[nH]c1
InChIInChI=1S/C6H11N3/c7-3-1-2-6-4-8-9-5-6/h4-5H,1-3,7H2,(H,8,9)/p+1
InChIKeyNKPUYKJNDVFPCP-UHFFFAOYSA-O
MW126.18 g/mol
LogP-0.42
Rot. Bonds3

About 3-(1H-pyrazol-4-yl)propylazanium

3-(1H-pyrazol-4-yl)propylazanium (PubChem CID 7875888) has the molecular formula C6H12N3+ and a molecular weight of 126.18 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)propylazanium.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)propylazanium
PubChem CID7875888
Molecular FormulaC6H12N3+
Molecular Weight126.18 g/mol
Exact Mass126.10
IUPAC Name3-(1H-pyrazol-4-yl)propylazanium
SMILES[NH3+]CCCc1cn[nH]c1
InChIInChI=1S/C6H11N3/c7-3-1-2-6-4-8-9-5-6/h4-5H,1-3,7H2,(H,8,9)/p+1
InChIKeyNKPUYKJNDVFPCP-UHFFFAOYSA-O
XLogP-0.42
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)propylazanium?
The IUPAC name of 3-(1H-pyrazol-4-yl)propylazanium (CID 7875888) is 3-(1H-pyrazol-4-yl)propylazanium.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)propylazanium?
The canonical SMILES for 3-(1H-pyrazol-4-yl)propylazanium is [NH3+]CCCc1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)propylazanium?
The InChIKey is NKPUYKJNDVFPCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N3/c7-3-1-2-6-4-8-9-5-6/h4-5H,1-3,7H2,(H,8,9)/p+1.
What are the key properties of 3-(1H-pyrazol-4-yl)propylazanium?
3-(1H-pyrazol-4-yl)propylazanium has a molecular weight of 126.18 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)propylazanium is sourced from PubChem (CID 7875888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).