(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

C11H18N4O — CID 82755254

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C11H18N4O/c1-7-6-12-4-5-15(7)11(16)10-8(2)13-14-9(10)3/h7,12H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyJDJZYLKYKXMYKT-SSDOTTSWSA-N
MW222.29 g/mol
LogP0.46
Rot. Bonds1

About (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 82755254) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID82755254
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C11H18N4O/c1-7-6-12-4-5-15(7)11(16)10-8(2)13-14-9(10)3/h7,12H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyJDJZYLKYKXMYKT-SSDOTTSWSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119471534
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 102679145
(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 104976335
(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755340
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119472352
(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 119473561
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 82755254) is (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is Cc1n[nH]c(C)c1C(=O)N1CCNC[C@H]1C.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is JDJZYLKYKXMYKT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-6-12-4-5-15(7)11(16)10-8(2)13-14-9(10)3/h7,12H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 222.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82755254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).