(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone

C13H22N4O — CID 82993688

IUPAC(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCNC(C)(C)C2)n(C)n1
InChIInChI=1S/C13H22N4O/c1-5-10-8-11(16(4)15-10)12(18)17-7-6-14-13(2,3)9-17/h8,14H,5-7,9H2,1-4H3
InChIKeyQVSNLJQPXOEHEZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.81
Rot. Bonds2

About (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone

(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone (PubChem CID 82993688) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
PubChem CID82993688
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCNC(C)(C)C2)n(C)n1
InChIInChI=1S/C13H22N4O/c1-5-10-8-11(16(4)15-10)12(18)17-7-6-14-13(2,3)9-17/h8,14H,5-7,9H2,1-4H3
InChIKeyQVSNLJQPXOEHEZ-UHFFFAOYSA-N
XLogP0.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 103894192
3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323437
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 136558435
(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66119791
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66211216
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 66120759
2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 46957153

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone (CID 82993688) is (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CCNC(C)(C)C2)n(C)n1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The InChIKey is QVSNLJQPXOEHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-10-8-11(16(4)15-10)12(18)17-7-6-14-13(2,3)9-17/h8,14H,5-7,9H2,1-4H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 82993688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).