1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine

C13H24N4 — CID 104688946

IUPAC1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine
SMILESCCC1CCCCCN1CCn1cc(N)cn1
InChIInChI=1S/C13H24N4/c1-2-13-6-4-3-5-7-16(13)8-9-17-11-12(14)10-15-17/h10-11,13H,2-9,14H2,1H3
InChIKeyHWFITJGIYMIDSM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.12
Rot. Bonds4

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

1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine (PubChem CID 104688946) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine
PubChem CID104688946
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine
SMILESCCC1CCCCCN1CCn1cc(N)cn1
InChIInChI=1S/C13H24N4/c1-2-13-6-4-3-5-7-16(13)8-9-17-11-12(14)10-15-17/h10-11,13H,2-9,14H2,1H3
InChIKeyHWFITJGIYMIDSM-UHFFFAOYSA-N
XLogP2.12
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine (CID 104688946) is 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine is CCC1CCCCCN1CCn1cc(N)cn1.
What is the InChIKey of 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine?
The InChIKey is HWFITJGIYMIDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-13-6-4-3-5-7-16(13)8-9-17-11-12(14)10-15-17/h10-11,13H,2-9,14H2,1H3.
What are the key properties of 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine?
1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 104688946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).