N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline

C28H24N3P — CID 102444262

IUPACN-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline
SMILESCc1ccc(Nc2ccccc2P(c2ccccc2)c2ccccc2)c(-n2cccn2)c1
InChIInChI=1S/C28H24N3P/c1-22-17-18-25(27(21-22)31-20-10-19-29-31)30-26-15-8-9-16-28(26)32(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-21,30H,1H3
InChIKeyOWHNOVBFSXZIFN-UHFFFAOYSA-N
MW433.50 g/mol
LogP5.68
Rot. Bonds6

About N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline

N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline (PubChem CID 102444262) has the molecular formula C28H24N3P and a molecular weight of 433.50 g/mol. Its IUPAC name is N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline
PubChem CID102444262
Molecular FormulaC28H24N3P
Molecular Weight433.50 g/mol
Exact Mass433.17
IUPAC NameN-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline
SMILESCc1ccc(Nc2ccccc2P(c2ccccc2)c2ccccc2)c(-n2cccn2)c1
InChIInChI=1S/C28H24N3P/c1-22-17-18-25(27(21-22)31-20-10-19-29-31)30-26-15-8-9-16-28(26)32(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-21,30H,1H3
InChIKeyOWHNOVBFSXZIFN-UHFFFAOYSA-N
XLogP5.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline
CID 7064033
N-methyl-2-(3-phenyl-1H-pyrazol-1-yl)aniline
CID 869424
(1R)-1-phenyl-N-((1R)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)ethanamine
CID 44543086
(1R)-N-((1R)-1-phenylethyl)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)-1-propanamine
CID 44542482
(1R)-1-phenyl-N-((1-phenyl-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542931
(1R)-2-methyl-N-((1R)-1-phenylethyl)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)-1-propanamine
CID 44543087
4-methyl-N-[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-ylmethyl]aniline
CID 53474364
N-diphenylphosphoryl-5-fluoro-2-pyrazol-1-ylaniline
CID 71520370
N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine
CID 71605891
1,5-Diphenyl-4-((4-methylphenyl)azo)-1H-pyrazole
CID 218455
N-[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-ylmethyl]aniline
CID 53474362

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline?
The IUPAC name of N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline (CID 102444262) is N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline?
The canonical SMILES for N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline is Cc1ccc(Nc2ccccc2P(c2ccccc2)c2ccccc2)c(-n2cccn2)c1.
What is the InChIKey of N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline?
The InChIKey is OWHNOVBFSXZIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N3P/c1-22-17-18-25(27(21-22)31-20-10-19-29-31)30-26-15-8-9-16-28(26)32(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-21,30H,1H3.
What are the key properties of N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline?
N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline has a molecular weight of 433.50 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline is sourced from PubChem (CID 102444262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).