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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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 46957153
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66120304
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
(3-ethyl-1-methylpyrazol-5-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154866368
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 66120759
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66211216
(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 136558435

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).