2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone

C16H28N4O — CID 119472076

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N1CCNCC1C
InChIInChI=1S/C16H28N4O/c1-11(2)10-20-14(5)15(13(4)18-20)8-16(21)19-7-6-17-9-12(19)3/h11-12,17H,6-10H2,1-5H3
InChIKeyYWTJAXMNWHCQEK-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.52
Rot. Bonds4

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 119472076) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID119472076
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N1CCNCC1C
InChIInChI=1S/C16H28N4O/c1-11(2)10-20-14(5)15(13(4)18-20)8-16(21)19-7-6-17-9-12(19)3/h11-12,17H,6-10H2,1-5H3
InChIKeyYWTJAXMNWHCQEK-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472075
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741664
1-[2-(aminomethyl)piperidin-1-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 119468227
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-piperazin-1-ylpropan-1-one
CID 119402581
1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021675
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 119519183
(2R)-N-cyclopropyl-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 51936536
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536142
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 120736336
1-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 96513019
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
1-[(1S,8S)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 126811315

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone (CID 119472076) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone is Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCNCC1C.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is YWTJAXMNWHCQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)10-20-14(5)15(13(4)18-20)8-16(21)19-7-6-17-9-12(19)3/h11-12,17H,6-10H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 292.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119472076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).