(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone

C13H22N4O — CID 103894192

IUPAC(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C13H22N4O/c1-5-11-10(8-16(4)15-11)12(18)17-7-6-14-13(2,3)9-17/h8,14H,5-7,9H2,1-4H3
InChIKeyCQCVEZIKXVRMIY-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.81
Rot. Bonds2

About (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone

(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone (PubChem CID 103894192) 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-4-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
PubChem CID103894192
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C13H22N4O/c1-5-11-10(8-16(4)15-11)12(18)17-7-6-14-13(2,3)9-17/h8,14H,5-7,9H2,1-4H3
InChIKeyCQCVEZIKXVRMIY-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

(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 82993688
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050
7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103894152
1-(3-ethyl-1-methylpyrazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982482
[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809897
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920830
3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422800
(3-ethyl-1-methylpyrazol-4-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 102810891
(3,3-dimethylpiperazin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 79014930
(2-bromophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015131
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 103894061

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone (CID 103894192) is (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone is CCc1nn(C)cc1C(=O)N1CCNC(C)(C)C1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The InChIKey is CQCVEZIKXVRMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-11-10(8-16(4)15-11)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-4-yl)methanone?
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-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-4-yl)methanone is sourced from PubChem (CID 103894192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).