1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine

C21H24N4 — CID 126605115

IUPAC1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
SMILESCN1CCN(Cc2cnn(-c3ccc(-c4ccccc4)cc3)c2)CC1
InChIInChI=1S/C21H24N4/c1-23-11-13-24(14-12-23)16-18-15-22-25(17-18)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,15,17H,11-14,16H2,1H3
InChIKeyGRCFNXQYPAOEQA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.29
Rot. Bonds4

About 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine

1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 126605115) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
PubChem CID126605115
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
SMILESCN1CCN(Cc2cnn(-c3ccc(-c4ccccc4)cc3)c2)CC1
InChIInChI=1S/C21H24N4/c1-23-11-13-24(14-12-23)16-18-15-22-25(17-18)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,15,17H,11-14,16H2,1H3
InChIKeyGRCFNXQYPAOEQA-UHFFFAOYSA-N
XLogP3.29
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 18138096
4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole
CID 77090296
2-phenyl-6-[(1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912229
methyl 2-[3-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propanoylamino]acetate
CID 71931745
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422
2-[4-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 135659014
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 133117300
3-phenyl-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 25372194

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine (CID 126605115) is 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine is CN1CCN(Cc2cnn(-c3ccc(-c4ccccc4)cc3)c2)CC1.
What is the InChIKey of 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is GRCFNXQYPAOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-23-11-13-24(14-12-23)16-18-15-22-25(17-18)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,15,17H,11-14,16H2,1H3.
What are the key properties of 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine?
1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 332.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 126605115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).