(2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine

C17H24N4 — CID 124755196

IUPAC(2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine
SMILESCc1ccc(N2CCN(CCc3cn[nH]c3)[C@@H](C)C2)cc1
InChIInChI=1S/C17H24N4/c1-14-3-5-17(6-4-14)21-10-9-20(15(2)13-21)8-7-16-11-18-19-12-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyPVDKVZSQZNJPJQ-HNNXBMFYSA-N
MW284.41 g/mol
LogP2.47
Rot. Bonds4

About (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine

(2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine (PubChem CID 124755196) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine
PubChem CID124755196
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name(2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine
SMILESCc1ccc(N2CCN(CCc3cn[nH]c3)[C@@H](C)C2)cc1
InChIInChI=1S/C17H24N4/c1-14-3-5-17(6-4-14)21-10-9-20(15(2)13-21)8-7-16-11-18-19-12-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyPVDKVZSQZNJPJQ-HNNXBMFYSA-N
XLogP2.47
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine?
The IUPAC name of (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine (CID 124755196) is (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine is Cc1ccc(N2CCN(CCc3cn[nH]c3)[C@@H](C)C2)cc1.
What is the InChIKey of (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine?
The InChIKey is PVDKVZSQZNJPJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-3-5-17(6-4-14)21-10-9-20(15(2)13-21)8-7-16-11-18-19-12-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine?
(2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 124755196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).