(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine

C15H20N4 — CID 124660620

IUPAC(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
SMILESCn1ccc(CN2CCNC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-18-9-7-14(17-18)12-19-10-8-16-11-15(19)13-5-3-2-4-6-13/h2-7,9,15-16H,8,10-12H2,1H3/t15-/m1/s1
InChIKeyGZYMBJGNCRHUEQ-OAHLLOKOSA-N
MW256.35 g/mol
LogP1.57
Rot. Bonds3

About (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine

(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine (PubChem CID 124660620) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
PubChem CID124660620
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
SMILESCn1ccc(CN2CCNC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-18-9-7-14(17-18)12-19-10-8-16-11-15(19)13-5-3-2-4-6-13/h2-7,9,15-16H,8,10-12H2,1H3/t15-/m1/s1
InChIKeyGZYMBJGNCRHUEQ-OAHLLOKOSA-N
XLogP1.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 110109471
N-methyl-3-[(2R)-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 125018311
1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile
CID 82868583
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
1-(3-ethoxypropyl)-2-phenylpiperazine
CID 64938444
(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 110109099
1-(3-fluoropropyl)-2-phenylpiperazine
CID 81114300
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120768598
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine?
The IUPAC name of (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine (CID 124660620) is (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine.
What is the SMILES notation for (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine?
The canonical SMILES for (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine is Cn1ccc(CN2CCNC[C@@H]2c2ccccc2)n1.
What is the InChIKey of (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine?
The InChIKey is GZYMBJGNCRHUEQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-9-7-14(17-18)12-19-10-8-16-11-15(19)13-5-3-2-4-6-13/h2-7,9,15-16H,8,10-12H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine?
(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine has a molecular weight of 256.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine is sourced from PubChem (CID 124660620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).