1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one

C15H26N4O — CID 83930095

IUPAC1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
SMILESCc1nn(C)c(C)c1C(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C15H26N4O/c1-11(15-12(2)17-18(4)13(15)3)5-6-14(20)19-9-7-16-8-10-19/h11,16H,5-10H2,1-4H3
InChIKeyFMNNYMCVZFOVIV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.35
Rot. Bonds4

About 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one

1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one (PubChem CID 83930095) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
PubChem CID83930095
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
SMILESCc1nn(C)c(C)c1C(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C15H26N4O/c1-11(15-12(2)17-18(4)13(15)3)5-6-14(20)19-9-7-16-8-10-19/h11,16H,5-10H2,1-4H3
InChIKeyFMNNYMCVZFOVIV-UHFFFAOYSA-N
XLogP1.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110834074
4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83923767
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83940218
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
4-(4-hydroxyphenyl)-1-piperazin-1-ylpentan-1-one
CID 83930393
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-piperazin-1-ylpropan-1-one
CID 119402581
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,4-diazepan-5-one
CID 62045570
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
CID 83925488
1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
CID 43502485

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one?
The IUPAC name of 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one (CID 83930095) is 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one?
The canonical SMILES for 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one is Cc1nn(C)c(C)c1C(C)CCC(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one?
The InChIKey is FMNNYMCVZFOVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(15-12(2)17-18(4)13(15)3)5-6-14(20)19-9-7-16-8-10-19/h11,16H,5-10H2,1-4H3.
What are the key properties of 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one?
1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one is sourced from PubChem (CID 83930095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).