(2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine

C12H21ClN4 — CID 82755521

IUPAC(2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine
SMILESCCn1nc(C)c(Cl)c1CN1CCNC[C@H]1C
InChIInChI=1S/C12H21ClN4/c1-4-17-11(12(13)10(3)15-17)8-16-6-5-14-7-9(16)2/h9,14H,4-8H2,1-3H3/t9-/m1/s1
InChIKeySYRWGSHEAVWZGF-SECBINFHSA-N
MW256.78 g/mol
LogP1.66
Rot. Bonds3

About (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine

(2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine (PubChem CID 82755521) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine
PubChem CID82755521
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name(2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine
SMILESCCn1nc(C)c(Cl)c1CN1CCNC[C@H]1C
InChIInChI=1S/C12H21ClN4/c1-4-17-11(12(13)10(3)15-17)8-16-6-5-14-7-9(16)2/h9,14H,4-8H2,1-3H3/t9-/m1/s1
InChIKeySYRWGSHEAVWZGF-SECBINFHSA-N
XLogP1.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82761869
(2R)-1-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755426
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]piperazine-2,6-dione
CID 66061094
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77103824
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318403
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338910
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine (CID 82755521) is (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine is CCn1nc(C)c(Cl)c1CN1CCNC[C@H]1C.
What is the InChIKey of (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine?
The InChIKey is SYRWGSHEAVWZGF-SECBINFHSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-4-17-11(12(13)10(3)15-17)8-16-6-5-14-7-9(16)2/h9,14H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine?
(2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine has a molecular weight of 256.78 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82755521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).