2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine

C8H12N6 — CID 13008370

IUPAC2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine
SMILESNc1ccnn1CCn1nccc1N
InChIInChI=1S/C8H12N6/c9-7-1-3-11-13(7)5-6-14-8(10)2-4-12-14/h1-4H,5-6,9-10H2
InChIKeyVDTOYSBUDJPWRB-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.06
Rot. Bonds3

About 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine

2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine (PubChem CID 13008370) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine
PubChem CID13008370
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine
SMILESNc1ccnn1CCn1nccc1N
InChIInChI=1S/C8H12N6/c9-7-1-3-11-13(7)5-6-14-8(10)2-4-12-14/h1-4H,5-6,9-10H2
InChIKeyVDTOYSBUDJPWRB-UHFFFAOYSA-N
XLogP-0.06
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine (CID 13008370) is 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine is Nc1ccnn1CCn1nccc1N.
What is the InChIKey of 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine?
The InChIKey is VDTOYSBUDJPWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c9-7-1-3-11-13(7)5-6-14-8(10)2-4-12-14/h1-4H,5-6,9-10H2.
What are the key properties of 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine?
2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine has a molecular weight of 192.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-aminopyrazol-1-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 13008370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).