N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine

C25H25N3 — CID 3914171

IUPACN-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESc1ccc(CCN(Cc2ccccc2)Cc2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C25H25N3/c1-4-10-21(11-5-1)16-17-28(19-22-12-6-2-7-13-22)20-24-18-26-27-25(24)23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2,(H,26,27)
InChIKeyCALWOJIHEDRGBR-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.32
Rot. Bonds8

About N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine

N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 3914171) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID3914171
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC NameN-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESc1ccc(CCN(Cc2ccccc2)Cc2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C25H25N3/c1-4-10-21(11-5-1)16-17-28(19-22-12-6-2-7-13-22)20-24-18-26-27-25(24)23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2,(H,26,27)
InChIKeyCALWOJIHEDRGBR-UHFFFAOYSA-N
XLogP5.32
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 1096827
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]ethanol
CID 66690238
N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912974
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 167773541
3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
CID 105453769
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
CID 163873740
1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77098082
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
3-(5-phenyl-1H-pyrazol-4-yl)propanenitrile
CID 121212690
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine
CID 131892694

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 3914171) is N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine is c1ccc(CCN(Cc2ccccc2)Cc2cn[nH]c2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is CALWOJIHEDRGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-4-10-21(11-5-1)16-17-28(19-22-12-6-2-7-13-22)20-24-18-26-27-25(24)23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2,(H,26,27).
What are the key properties of N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine?
N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 367.50 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 3914171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).