1-[2-(diethylamino)ethyl]pyrazol-3-amine

C9H18N4 — CID 60783199

IUPAC1-[2-(diethylamino)ethyl]pyrazol-3-amine
SMILESCCN(CC)CCn1ccc(N)n1
InChIInChI=1S/C9H18N4/c1-3-12(4-2)7-8-13-6-5-9(10)11-13/h5-6H,3-4,7-8H2,1-2H3,(H2,10,11)
InChIKeyUMNQJOKVNXSDMA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.81
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]pyrazol-3-amine

1-[2-(diethylamino)ethyl]pyrazol-3-amine (PubChem CID 60783199) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]pyrazol-3-amine
PubChem CID60783199
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-[2-(diethylamino)ethyl]pyrazol-3-amine
SMILESCCN(CC)CCn1ccc(N)n1
InChIInChI=1S/C9H18N4/c1-3-12(4-2)7-8-13-6-5-9(10)11-13/h5-6H,3-4,7-8H2,1-2H3,(H2,10,11)
InChIKeyUMNQJOKVNXSDMA-UHFFFAOYSA-N
XLogP0.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]pyrazol-3-amine (CID 60783199) is 1-[2-(diethylamino)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]pyrazol-3-amine is CCN(CC)CCn1ccc(N)n1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]pyrazol-3-amine?
The InChIKey is UMNQJOKVNXSDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-12(4-2)7-8-13-6-5-9(10)11-13/h5-6H,3-4,7-8H2,1-2H3,(H2,10,11).
What are the key properties of 1-[2-(diethylamino)ethyl]pyrazol-3-amine?
1-[2-(diethylamino)ethyl]pyrazol-3-amine has a molecular weight of 182.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]pyrazol-3-amine is sourced from PubChem (CID 60783199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).