5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine

C8H16N4 — CID 83863937

IUPAC5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nc(N)cc1CCN
InChIInChI=1S/C8H16N4/c1-6(2)12-7(3-4-9)5-8(10)11-12/h5-6H,3-4,9H2,1-2H3,(H2,10,11)
InChIKeyXYMQUCFJUZZRRV-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.55
Rot. Bonds3

About 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine

5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine (PubChem CID 83863937) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
PubChem CID83863937
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nc(N)cc1CCN
InChIInChI=1S/C8H16N4/c1-6(2)12-7(3-4-9)5-8(10)11-12/h5-6H,3-4,9H2,1-2H3,(H2,10,11)
InChIKeyXYMQUCFJUZZRRV-UHFFFAOYSA-N
XLogP0.55
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine (CID 83863937) is 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine is CC(C)n1nc(N)cc1CCN.
What is the InChIKey of 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine?
The InChIKey is XYMQUCFJUZZRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)12-7(3-4-9)5-8(10)11-12/h5-6H,3-4,9H2,1-2H3,(H2,10,11).
What are the key properties of 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine?
5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine has a molecular weight of 168.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 83863937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).