6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one

C14H24N4O — CID 103573255

IUPAC6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one
SMILESCCCn1cc(C2C(N)CCCC(=O)N2CC)cn1
InChIInChI=1S/C14H24N4O/c1-3-8-17-10-11(9-16-17)14-12(15)6-5-7-13(19)18(14)4-2/h9-10,12,14H,3-8,15H2,1-2H3
InChIKeyLWRFPQXUSWRIOQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds4

About 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one

6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one (PubChem CID 103573255) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one.

Molecular Properties

Compound Name6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one
PubChem CID103573255
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one
SMILESCCCn1cc(C2C(N)CCCC(=O)N2CC)cn1
InChIInChI=1S/C14H24N4O/c1-3-8-17-10-11(9-16-17)14-12(15)6-5-7-13(19)18(14)4-2/h9-10,12,14H,3-8,15H2,1-2H3
InChIKeyLWRFPQXUSWRIOQ-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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Related Compounds

6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one
CID 79978466
6-amino-7-(3-ethylimidazol-4-yl)-1-propylazepan-2-one
CID 66133666
6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one
CID 114557788
4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one
CID 103573251
5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 103570764
6-amino-1-ethyl-7-(5-methyl-2-pyridinyl)azepan-2-one
CID 81312437
2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
CID 64908753
5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
CID 103571674
6-amino-7-(3-bromo-4-methylphenyl)-1-propylazepan-2-one
CID 105411529
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
6-amino-1-ethyl-7-(3-methylfuran-2-yl)azepan-2-one
CID 113489117
6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one
CID 66129381

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one?
The IUPAC name of 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one (CID 103573255) is 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one.
What is the SMILES notation for 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one?
The canonical SMILES for 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one is CCCn1cc(C2C(N)CCCC(=O)N2CC)cn1.
What is the InChIKey of 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one?
The InChIKey is LWRFPQXUSWRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-17-10-11(9-16-17)14-12(15)6-5-7-13(19)18(14)4-2/h9-10,12,14H,3-8,15H2,1-2H3.
What are the key properties of 6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one?
6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-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-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one is sourced from PubChem (CID 103573255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).