(2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine

C18H26N4 — CID 124883835

IUPAC(2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine
SMILESCCn1nccc1CCN1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C18H26N4/c1-3-22-17(9-11-19-22)10-12-21-14-13-20(2)15-18(21)16-7-5-4-6-8-16/h4-9,11,18H,3,10,12-15H2,1-2H3/t18-/m0/s1
InChIKeyNCRZEMDMHKCNDL-SFHVURJKSA-N
MW298.43 g/mol
LogP2.43
Rot. Bonds5

About (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine

(2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine (PubChem CID 124883835) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name(2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine
PubChem CID124883835
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name(2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine
SMILESCCn1nccc1CCN1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C18H26N4/c1-3-22-17(9-11-19-22)10-12-21-14-13-20(2)15-18(21)16-7-5-4-6-8-16/h4-9,11,18H,3,10,12-15H2,1-2H3/t18-/m0/s1
InChIKeyNCRZEMDMHKCNDL-SFHVURJKSA-N
XLogP2.43
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-7-phenyl-1,4-diazepan-5-one
CID 124884053
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
(3S,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129447463
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
(3R,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100751648
2-methyl-1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904659
1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
CID 167753879
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
CID 62263763
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine?
The IUPAC name of (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine (CID 124883835) is (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine.
What is the SMILES notation for (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine?
The canonical SMILES for (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine is CCn1nccc1CCN1CCN(C)C[C@H]1c1ccccc1.
What is the InChIKey of (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine?
The InChIKey is NCRZEMDMHKCNDL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-22-17(9-11-19-22)10-12-21-14-13-20(2)15-18(21)16-7-5-4-6-8-16/h4-9,11,18H,3,10,12-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine?
(2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine has a molecular weight of 298.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine is sourced from PubChem (CID 124883835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).