6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one

C14H24N4O — CID 114557788

IUPAC6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one
SMILESCCCN1C(=O)CCCC(N)C1c1ccnn1CC
InChIInChI=1S/C14H24N4O/c1-3-10-17-13(19)7-5-6-11(15)14(17)12-8-9-16-18(12)4-2/h8-9,11,14H,3-7,10,15H2,1-2H3
InChIKeyLZTORJJTZRLCIF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds4

About 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one

6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one (PubChem CID 114557788) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one.

Molecular Properties

Compound Name6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one
PubChem CID114557788
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one
SMILESCCCN1C(=O)CCCC(N)C1c1ccnn1CC
InChIInChI=1S/C14H24N4O/c1-3-10-17-13(19)7-5-6-11(15)14(17)12-8-9-16-18(12)4-2/h8-9,11,14H,3-7,10,15H2,1-2H3
InChIKeyLZTORJJTZRLCIF-UHFFFAOYSA-N
XLogP1.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one?
The IUPAC name of 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one (CID 114557788) is 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one.
What is the SMILES notation for 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one?
The canonical SMILES for 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one is CCCN1C(=O)CCCC(N)C1c1ccnn1CC.
What is the InChIKey of 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one?
The InChIKey is LZTORJJTZRLCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-10-17-13(19)7-5-6-11(15)14(17)12-8-9-16-18(12)4-2/h8-9,11,14H,3-7,10,15H2,1-2H3.
What are the key properties of 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one?
6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one is sourced from PubChem (CID 114557788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).