1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one

C15H24N4O2 — CID 26320858

IUPAC1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one
SMILESCCCN1CCN(C(=O)c2cc(CC)nn2C)CCC1=O
InChIInChI=1S/C15H24N4O2/c1-4-7-18-9-10-19(8-6-14(18)20)15(21)13-11-12(5-2)16-17(13)3/h11H,4-10H2,1-3H3
InChIKeyZKGQLIRFNNAZFG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.07
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one

1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one (PubChem CID 26320858) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one
PubChem CID26320858
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one
SMILESCCCN1CCN(C(=O)c2cc(CC)nn2C)CCC1=O
InChIInChI=1S/C15H24N4O2/c1-4-7-18-9-10-19(8-6-14(18)20)15(21)13-11-12(5-2)16-17(13)3/h11H,4-10H2,1-3H3
InChIKeyZKGQLIRFNNAZFG-UHFFFAOYSA-N
XLogP1.07
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one (CID 26320858) is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one is CCCN1CCN(C(=O)c2cc(CC)nn2C)CCC1=O.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one?
The InChIKey is ZKGQLIRFNNAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-7-18-9-10-19(8-6-14(18)20)15(21)13-11-12(5-2)16-17(13)3/h11H,4-10H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one?
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one has a molecular weight of 292.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one is sourced from PubChem (CID 26320858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).