1-(5-phenyl-1H-pyrazol-3-yl)azepane

C15H19N3 — CID 973199

IUPAC1-(5-phenyl-1H-pyrazol-3-yl)azepane
SMILESc1ccc(-c2cc(N3CCCCCC3)n[nH]2)cc1
InChIInChI=1S/C15H19N3/c1-2-7-11-18(10-6-1)15-12-14(16-17-15)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,16,17)
InChIKeySUFJAXJRRCSGPV-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.46
Rot. Bonds2

About 1-(5-phenyl-1H-pyrazol-3-yl)azepane

1-(5-phenyl-1H-pyrazol-3-yl)azepane (PubChem CID 973199) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(5-phenyl-1H-pyrazol-3-yl)azepane.

Molecular Properties

Compound Name1-(5-phenyl-1H-pyrazol-3-yl)azepane
PubChem CID973199
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(5-phenyl-1H-pyrazol-3-yl)azepane
SMILESc1ccc(-c2cc(N3CCCCCC3)n[nH]2)cc1
InChIInChI=1S/C15H19N3/c1-2-7-11-18(10-6-1)15-12-14(16-17-15)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,16,17)
InChIKeySUFJAXJRRCSGPV-UHFFFAOYSA-N
XLogP3.46
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-pyrazol-3-yl)azepane?
The IUPAC name of 1-(5-phenyl-1H-pyrazol-3-yl)azepane (CID 973199) is 1-(5-phenyl-1H-pyrazol-3-yl)azepane.
What is the SMILES notation for 1-(5-phenyl-1H-pyrazol-3-yl)azepane?
The canonical SMILES for 1-(5-phenyl-1H-pyrazol-3-yl)azepane is c1ccc(-c2cc(N3CCCCCC3)n[nH]2)cc1.
What is the InChIKey of 1-(5-phenyl-1H-pyrazol-3-yl)azepane?
The InChIKey is SUFJAXJRRCSGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-7-11-18(10-6-1)15-12-14(16-17-15)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,16,17).
What are the key properties of 1-(5-phenyl-1H-pyrazol-3-yl)azepane?
1-(5-phenyl-1H-pyrazol-3-yl)azepane has a molecular weight of 241.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-pyrazol-3-yl)azepane is sourced from PubChem (CID 973199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).