(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine

C22H26N4 — CID 124757280

IUPAC(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccccc2Cn2cccn2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H26N4/c1-24-14-15-25(18-22(24)19-8-3-2-4-9-19)16-20-10-5-6-11-21(20)17-26-13-7-12-23-26/h2-13,22H,14-18H2,1H3/t22-/m0/s1
InChIKeyWAOSAJVSVHZXDN-QFIPXVFZSA-N
MW346.48 g/mol
LogP3.42
Rot. Bonds5

About (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine

(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine (PubChem CID 124757280) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
PubChem CID124757280
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccccc2Cn2cccn2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H26N4/c1-24-14-15-25(18-22(24)19-8-3-2-4-9-19)16-20-10-5-6-11-21(20)17-26-13-7-12-23-26/h2-13,22H,14-18H2,1H3/t22-/m0/s1
InChIKeyWAOSAJVSVHZXDN-QFIPXVFZSA-N
XLogP3.42
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 154906169
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane
CID 156608734
3-(cyclopropylmethyl)-7-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 157358063
(3S,4S)-3-hydroxy-4-propyl-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 165424586
(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
CID 100597337
2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
CID 28685245
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 56854930
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
4-ethyl-3-[1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 56714093
4-ethyl-3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95207263

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The IUPAC name of (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine (CID 124757280) is (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine.
What is the SMILES notation for (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The canonical SMILES for (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine is CN1CCN(Cc2ccccc2Cn2cccn2)C[C@H]1c1ccccc1.
What is the InChIKey of (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The InChIKey is WAOSAJVSVHZXDN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4/c1-24-14-15-25(18-22(24)19-8-3-2-4-9-19)16-20-10-5-6-11-21(20)17-26-13-7-12-23-26/h2-13,22H,14-18H2,1H3/t22-/m0/s1.
What are the key properties of (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine has a molecular weight of 346.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 124757280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).