2-(3-cyclopropylpyrazol-1-yl)ethylazanium

C8H14N3+ — CID 7176042

IUPAC2-(3-cyclopropylpyrazol-1-yl)ethylazanium
SMILES[NH3+]CCn1ccc(C2CC2)n1
InChIInChI=1S/C8H13N3/c9-4-6-11-5-3-8(10-11)7-1-2-7/h3,5,7H,1-2,4,6,9H2/p+1
InChIKeyRKGOWTMHXCPCJL-UHFFFAOYSA-O
MW152.22 g/mol
LogP0.00
Rot. Bonds3

About 2-(3-cyclopropylpyrazol-1-yl)ethylazanium

2-(3-cyclopropylpyrazol-1-yl)ethylazanium (PubChem CID 7176042) has the molecular formula C8H14N3+ and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)ethylazanium.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)ethylazanium
PubChem CID7176042
Molecular FormulaC8H14N3+
Molecular Weight152.22 g/mol
Exact Mass152.12
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)ethylazanium
SMILES[NH3+]CCn1ccc(C2CC2)n1
InChIInChI=1S/C8H13N3/c9-4-6-11-5-3-8(10-11)7-1-2-7/h3,5,7H,1-2,4,6,9H2/p+1
InChIKeyRKGOWTMHXCPCJL-UHFFFAOYSA-O
XLogP0.00
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)ethylazanium?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)ethylazanium (CID 7176042) is 2-(3-cyclopropylpyrazol-1-yl)ethylazanium.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)ethylazanium?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)ethylazanium is [NH3+]CCn1ccc(C2CC2)n1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)ethylazanium?
The InChIKey is RKGOWTMHXCPCJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3/c9-4-6-11-5-3-8(10-11)7-1-2-7/h3,5,7H,1-2,4,6,9H2/p+1.
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)ethylazanium?
2-(3-cyclopropylpyrazol-1-yl)ethylazanium has a molecular weight of 152.22 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)ethylazanium is sourced from PubChem (CID 7176042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).