2-(2-ethylpyrazol-3-yl)-2-propylazepane

C14H25N3 — CID 79118018

IUPAC2-(2-ethylpyrazol-3-yl)-2-propylazepane
SMILESCCCC1(c2ccnn2CC)CCCCCN1
InChIInChI=1S/C14H25N3/c1-3-9-14(10-6-5-7-11-15-14)13-8-12-16-17(13)4-2/h8,12,15H,3-7,9-11H2,1-2H3
InChIKeyYWMOWRNZEDKOND-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds4

About 2-(2-ethylpyrazol-3-yl)-2-propylazepane

2-(2-ethylpyrazol-3-yl)-2-propylazepane (PubChem CID 79118018) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-2-propylazepane.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-2-propylazepane
PubChem CID79118018
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(2-ethylpyrazol-3-yl)-2-propylazepane
SMILESCCCC1(c2ccnn2CC)CCCCCN1
InChIInChI=1S/C14H25N3/c1-3-9-14(10-6-5-7-11-15-14)13-8-12-16-17(13)4-2/h8,12,15H,3-7,9-11H2,1-2H3
InChIKeyYWMOWRNZEDKOND-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-2-propylazepane?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-2-propylazepane (CID 79118018) is 2-(2-ethylpyrazol-3-yl)-2-propylazepane.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-2-propylazepane?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-2-propylazepane is CCCC1(c2ccnn2CC)CCCCCN1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-2-propylazepane?
The InChIKey is YWMOWRNZEDKOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-9-14(10-6-5-7-11-15-14)13-8-12-16-17(13)4-2/h8,12,15H,3-7,9-11H2,1-2H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-2-propylazepane?
2-(2-ethylpyrazol-3-yl)-2-propylazepane has a molecular weight of 235.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-2-propylazepane is sourced from PubChem (CID 79118018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).