1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

C14H24N4O — CID 54982396

IUPAC1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCCNCC2)c1C
InChIInChI=1S/C14H24N4O/c1-4-13-11(2)16-18(12(13)3)10-14(19)17-8-5-6-15-7-9-17/h15H,4-10H2,1-3H3
InChIKeyYAZRDMHEWMJEGC-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.88
Rot. Bonds3

About 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 54982396) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID54982396
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCCNCC2)c1C
InChIInChI=1S/C14H24N4O/c1-4-13-11(2)16-18(12(13)3)10-14(19)17-8-5-6-15-7-9-17/h15H,4-10H2,1-3H3
InChIKeyYAZRDMHEWMJEGC-UHFFFAOYSA-N
XLogP0.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 62129908
1-(1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110834074
2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 82694012
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 91784473
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-piperazin-1-ylpropan-1-one
CID 119402581
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 39891679
2-[5-[(3S)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126434624
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]ethanone
CID 86283835
(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95209324
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylcarbamic acid
CID 155126001
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone (CID 54982396) is 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone is CCc1c(C)nn(CC(=O)N2CCCNCC2)c1C.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is YAZRDMHEWMJEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-13-11(2)16-18(12(13)3)10-14(19)17-8-5-6-15-7-9-17/h15H,4-10H2,1-3H3.
What are the key properties of 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 54982396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).