1-[2-(diethylamino)ethyl]pyrazol-4-amine

C9H18N4 — CID 42281880

IUPAC1-[2-(diethylamino)ethyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(N)cn1
InChIInChI=1S/C9H18N4/c1-3-12(4-2)5-6-13-8-9(10)7-11-13/h7-8H,3-6,10H2,1-2H3
InChIKeyMWQSJRTXOKYCHJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.81
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]pyrazol-4-amine

1-[2-(diethylamino)ethyl]pyrazol-4-amine (PubChem CID 42281880) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]pyrazol-4-amine
PubChem CID42281880
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-[2-(diethylamino)ethyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(N)cn1
InChIInChI=1S/C9H18N4/c1-3-12(4-2)5-6-13-8-9(10)7-11-13/h7-8H,3-6,10H2,1-2H3
InChIKeyMWQSJRTXOKYCHJ-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-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]pyrazol-4-amine (CID 42281880) is 1-[2-(diethylamino)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]pyrazol-4-amine is CCN(CC)CCn1cc(N)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]pyrazol-4-amine?
The InChIKey is MWQSJRTXOKYCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-12(4-2)5-6-13-8-9(10)7-11-13/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]pyrazol-4-amine?
1-[2-(diethylamino)ethyl]pyrazol-4-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-4-amine is sourced from PubChem (CID 42281880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).