2-(4-chloropyrazol-1-yl)ethylazanium

C5H9ClN3+ — CID 7019314

IUPAC2-(4-chloropyrazol-1-yl)ethylazanium
SMILES[NH3+]CCn1cc(Cl)cn1
InChIInChI=1S/C5H8ClN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2/p+1
InChIKeyHYMUJSKLHIXUOM-UHFFFAOYSA-O
MW146.60 g/mol
LogP-0.22
Rot. Bonds2

About 2-(4-chloropyrazol-1-yl)ethylazanium

2-(4-chloropyrazol-1-yl)ethylazanium (PubChem CID 7019314) has the molecular formula C5H9ClN3+ and a molecular weight of 146.60 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)ethylazanium.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)ethylazanium
PubChem CID7019314
Molecular FormulaC5H9ClN3+
Molecular Weight146.60 g/mol
Exact Mass146.05
IUPAC Name2-(4-chloropyrazol-1-yl)ethylazanium
SMILES[NH3+]CCn1cc(Cl)cn1
InChIInChI=1S/C5H8ClN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2/p+1
InChIKeyHYMUJSKLHIXUOM-UHFFFAOYSA-O
XLogP-0.22
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.60
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
5-(4-chloropyrazol-1-yl)pentanoic acid
CID 61035108
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine
CID 63316326
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide
CID 22208836
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine
CID 62567762
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine
CID 62566978
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
6-(4-chloropyrazol-1-yl)-2,2-dimethylhexanoic acid
CID 106714172

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)ethylazanium?
The IUPAC name of 2-(4-chloropyrazol-1-yl)ethylazanium (CID 7019314) is 2-(4-chloropyrazol-1-yl)ethylazanium.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)ethylazanium?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)ethylazanium is [NH3+]CCn1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)ethylazanium?
The InChIKey is HYMUJSKLHIXUOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8ClN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2/p+1.
What are the key properties of 2-(4-chloropyrazol-1-yl)ethylazanium?
2-(4-chloropyrazol-1-yl)ethylazanium has a molecular weight of 146.60 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)ethylazanium is sourced from PubChem (CID 7019314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).