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

C13H26N4 — CID 62138066

IUPAC1-[2-(dibutylamino)ethyl]pyrazol-4-amine
SMILESCCCCN(CCCC)CCn1cc(N)cn1
InChIInChI=1S/C13H26N4/c1-3-5-7-16(8-6-4-2)9-10-17-12-13(14)11-15-17/h11-12H,3-10,14H2,1-2H3
InChIKeyUWJDONLORSHMOM-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.37
Rot. Bonds9

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

1-[2-(dibutylamino)ethyl]pyrazol-4-amine (PubChem CID 62138066) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[2-(dibutylamino)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(dibutylamino)ethyl]pyrazol-4-amine
PubChem CID62138066
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-[2-(dibutylamino)ethyl]pyrazol-4-amine
SMILESCCCCN(CCCC)CCn1cc(N)cn1
InChIInChI=1S/C13H26N4/c1-3-5-7-16(8-6-4-2)9-10-17-12-13(14)11-15-17/h11-12H,3-10,14H2,1-2H3
InChIKeyUWJDONLORSHMOM-UHFFFAOYSA-N
XLogP2.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dibutylamino)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(dibutylamino)ethyl]pyrazol-4-amine (CID 62138066) is 1-[2-(dibutylamino)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(dibutylamino)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(dibutylamino)ethyl]pyrazol-4-amine is CCCCN(CCCC)CCn1cc(N)cn1.
What is the InChIKey of 1-[2-(dibutylamino)ethyl]pyrazol-4-amine?
The InChIKey is UWJDONLORSHMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-3-5-7-16(8-6-4-2)9-10-17-12-13(14)11-15-17/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-[2-(dibutylamino)ethyl]pyrazol-4-amine?
1-[2-(dibutylamino)ethyl]pyrazol-4-amine has a molecular weight of 238.38 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dibutylamino)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).