(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine

C13H23BrN4 — CID 82761869

IUPAC(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
SMILESCCc1nn(CC)c(CN2CCNC[C@H]2C)c1Br
InChIInChI=1S/C13H23BrN4/c1-4-11-13(14)12(18(5-2)16-11)9-17-7-6-15-8-10(17)3/h10,15H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyATQCXHXCGLAFKU-SNVBAGLBSA-N
MW315.26 g/mol
LogP2.02
Rot. Bonds4

About (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine

(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine (PubChem CID 82761869) has the molecular formula C13H23BrN4 and a molecular weight of 315.26 g/mol. Its IUPAC name is (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
PubChem CID82761869
Molecular FormulaC13H23BrN4
Molecular Weight315.26 g/mol
Exact Mass314.11
IUPAC Name(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
SMILESCCc1nn(CC)c(CN2CCNC[C@H]2C)c1Br
InChIInChI=1S/C13H23BrN4/c1-4-11-13(14)12(18(5-2)16-11)9-17-7-6-15-8-10(17)3/h10,15H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyATQCXHXCGLAFKU-SNVBAGLBSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755521
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681461
(2R)-1-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755426
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol
CID 114451911
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451628
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-ethylazepane
CID 104691386
(3S)-3-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]piperidine
CID 66245604
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79547136
(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 115301850
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
2-ethyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 82756029
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474756

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine (CID 82761869) is (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine is CCc1nn(CC)c(CN2CCNC[C@H]2C)c1Br.
What is the InChIKey of (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine?
The InChIKey is ATQCXHXCGLAFKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23BrN4/c1-4-11-13(14)12(18(5-2)16-11)9-17-7-6-15-8-10(17)3/h10,15H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine?
(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine has a molecular weight of 315.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82761869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).