(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone

C11H18N4O — CID 120569646

IUPAC(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCNC(C)C1C
InChIInChI=1S/C11H18N4O/c1-7-9(3)15(5-4-12-7)11(16)10-6-13-14-8(10)2/h6-7,9,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyBGJPLKDVSSPJOG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.54
Rot. Bonds1

About (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone

(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 120569646) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID120569646
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCNC(C)C1C
InChIInChI=1S/C11H18N4O/c1-7-9(3)15(5-4-12-7)11(16)10-6-13-14-8(10)2/h6-7,9,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyBGJPLKDVSSPJOG-UHFFFAOYSA-N
XLogP0.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119471534
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572283
(2,4-difluoro-5-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571461
(2,3-dimethylpiperazin-1-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 120573034
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916
3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120573008
(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 120569390
6-(2,3-dimethylpiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120569677
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone (CID 120569646) is (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CCNC(C)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is BGJPLKDVSSPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-9(3)15(5-4-12-7)11(16)10-6-13-14-8(10)2/h6-7,9,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 120569646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).