N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline

C34H27N3 — CID 59499972

IUPACN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C34H27N3/c1-26-17-19-30(20-18-26)36(29-15-9-4-10-16-29)31-21-23-32(24-22-31)37-34(28-13-7-3-8-14-28)25-33(35-37)27-11-5-2-6-12-27/h2-25H,1H3
InChIKeyHYTRSCSMLDBYKS-UHFFFAOYSA-N
MW477.61 g/mol
LogP8.98
Rot. Bonds6

About N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline

N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline (PubChem CID 59499972) has the molecular formula C34H27N3 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
PubChem CID59499972
Molecular FormulaC34H27N3
Molecular Weight477.61 g/mol
Exact Mass477.22
IUPAC NameN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C34H27N3/c1-26-17-19-30(20-18-26)36(29-15-9-4-10-16-29)31-21-23-32(24-22-31)37-34(28-13-7-3-8-14-28)25-33(35-37)27-11-5-2-6-12-27/h2-25H,1H3
InChIKeyHYTRSCSMLDBYKS-UHFFFAOYSA-N
XLogP8.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 59501229
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59500037
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline
CID 59501321
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 59499901
2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline
CID 59500016
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
1,3,5-triphenylpyrazole
CID 626614
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]-N,N-diphenylaniline
CID 59500022
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
CID 59499912

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline?
The IUPAC name of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline (CID 59499972) is N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline?
The canonical SMILES for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline?
The InChIKey is HYTRSCSMLDBYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3/c1-26-17-19-30(20-18-26)36(29-15-9-4-10-16-29)31-21-23-32(24-22-31)37-34(28-13-7-3-8-14-28)25-33(35-37)27-11-5-2-6-12-27/h2-25H,1H3.
What are the key properties of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline?
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline has a molecular weight of 477.61 g/mol, XLogP of 8.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 59499972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).