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

C12H22N4 — CID 104975653

IUPAC(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine
SMILESCCc1cc(CN2CCN[C@H](C)C2)n(C)n1
InChIInChI=1S/C12H22N4/c1-4-11-7-12(15(3)14-11)9-16-6-5-13-10(2)8-16/h7,10,13H,4-6,8-9H2,1-3H3/t10-/m1/s1
InChIKeyUAMICVNGTPMAJN-SNVBAGLBSA-N
MW222.34 g/mol
LogP0.78
Rot. Bonds3

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

(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine (PubChem CID 104975653) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine
PubChem CID104975653
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine
SMILESCCc1cc(CN2CCN[C@H](C)C2)n(C)n1
InChIInChI=1S/C12H22N4/c1-4-11-7-12(15(3)14-11)9-16-6-5-13-10(2)8-16/h7,10,13H,4-6,8-9H2,1-3H3/t10-/m1/s1
InChIKeyUAMICVNGTPMAJN-SNVBAGLBSA-N
XLogP0.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 115301883
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
CID 66130031
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449208
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 103885908
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine (CID 104975653) is (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine is CCc1cc(CN2CCN[C@H](C)C2)n(C)n1.
What is the InChIKey of (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine?
The InChIKey is UAMICVNGTPMAJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-11-7-12(15(3)14-11)9-16-6-5-13-10(2)8-16/h7,10,13H,4-6,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine?
(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine has a molecular weight of 222.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 104975653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).