(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

C11H18N4O — CID 103866771

IUPAC(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C11H18N4O/c1-8-6-12-4-5-15(8)11(16)10-7-14(3)13-9(10)2/h7-8,12H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyBBMUAURQMQZUCN-QMMMGPOBSA-N
MW222.29 g/mol
LogP0.16
Rot. Bonds1

About (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 103866771) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID103866771
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C11H18N4O/c1-8-6-12-4-5-15(8)11(16)10-7-14(3)13-9(10)2/h7-8,12H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyBBMUAURQMQZUCN-QMMMGPOBSA-N
XLogP0.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124941836
(2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone
CID 167873117
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119471534
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 119469998
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 103807450
(1,3-dimethylpyrazol-4-yl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 102801977
(2-ethyl-5-methylpyrazol-3-yl)-(2-methylpiperazin-1-yl)methanone
CID 66120880

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 103866771) is (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CCNC[C@@H]1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is BBMUAURQMQZUCN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-12-4-5-15(8)11(16)10-7-14(3)13-9(10)2/h7-8,12H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 222.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 103866771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).