4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one

C13H20N4O2 — CID 62897203

IUPAC4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one
SMILESCc1nn(C)c(C)c1CC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C13H20N4O2/c1-9-11(10(2)16(3)15-9)7-13(19)17-6-4-5-14-12(18)8-17/h4-8H2,1-3H3,(H,14,18)
InChIKeyUZWPYOFZFNTSTJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.07
Rot. Bonds2

About 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one

4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one (PubChem CID 62897203) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one
PubChem CID62897203
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one
SMILESCc1nn(C)c(C)c1CC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C13H20N4O2/c1-9-11(10(2)16(3)15-9)7-13(19)17-6-4-5-14-12(18)8-17/h4-8H2,1-3H3,(H,14,18)
InChIKeyUZWPYOFZFNTSTJ-UHFFFAOYSA-N
XLogP-0.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
1-(1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110834074
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705889
4-[2-(2,6-dichlorophenyl)acetyl]-1,4-diazepan-2-one
CID 62898920
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 36515196
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,4-diazepan-5-one
CID 62045570
2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 47016420
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one
CID 65361208
2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612727
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone;dihydrochloride
CID 119636826
ethyl 3-oxo-1,4-diazepane-1-carboxylate
CID 62897975

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one (CID 62897203) is 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one is Cc1nn(C)c(C)c1CC(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one?
The InChIKey is UZWPYOFZFNTSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-11(10(2)16(3)15-9)7-13(19)17-6-4-5-14-12(18)8-17/h4-8H2,1-3H3,(H,14,18).
What are the key properties of 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one?
4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one has a molecular weight of 264.33 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one is sourced from PubChem (CID 62897203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).