(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine

C11H20N4 — CID 103885908

IUPAC(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
SMILESCCn1nccc1CN1CCN[C@H](C)C1
InChIInChI=1S/C11H20N4/c1-3-15-11(4-5-13-15)9-14-7-6-12-10(2)8-14/h4-5,10,12H,3,6-9H2,1-2H3/t10-/m1/s1
InChIKeyGDCHBMYIBNFBAR-SNVBAGLBSA-N
MW208.31 g/mol
LogP0.70
Rot. Bonds3

About (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine

(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine (PubChem CID 103885908) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
PubChem CID103885908
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
SMILESCCn1nccc1CN1CCN[C@H](C)C1
InChIInChI=1S/C11H20N4/c1-3-15-11(4-5-13-15)9-14-7-6-12-10(2)8-14/h4-5,10,12H,3,6-9H2,1-2H3/t10-/m1/s1
InChIKeyGDCHBMYIBNFBAR-SNVBAGLBSA-N
XLogP0.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine (CID 103885908) is (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine is CCn1nccc1CN1CCN[C@H](C)C1.
What is the InChIKey of (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine?
The InChIKey is GDCHBMYIBNFBAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-15-11(4-5-13-15)9-14-7-6-12-10(2)8-14/h4-5,10,12H,3,6-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine?
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine has a molecular weight of 208.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 103885908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).