N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline

C21H19N3S — CID 102187147

IUPACN,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline
SMILESCN(C)c1ccc(-c2cc(-c3ccsc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3S/c1-23(2)18-10-8-16(9-11-18)21-14-20(17-12-13-25-15-17)22-24(21)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKeyWMDRNSHHRKHZGN-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.33
Rot. Bonds4

About N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline

N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline (PubChem CID 102187147) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline
PubChem CID102187147
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC NameN,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline
SMILESCN(C)c1ccc(-c2cc(-c3ccsc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3S/c1-23(2)18-10-8-16(9-11-18)21-14-20(17-12-13-25-15-17)22-24(21)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKeyWMDRNSHHRKHZGN-UHFFFAOYSA-N
XLogP5.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline
CID 42645166
1,3,5-triphenylpyrazole
CID 626614
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59500037
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
N-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 59501229
N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline
CID 59501321
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 59499901

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline (CID 102187147) is N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline is CN(C)c1ccc(-c2cc(-c3ccsc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline?
The InChIKey is WMDRNSHHRKHZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-23(2)18-10-8-16(9-11-18)21-14-20(17-12-13-25-15-17)22-24(21)19-6-4-3-5-7-19/h3-15H,1-2H3.
What are the key properties of N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline?
N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline has a molecular weight of 345.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline is sourced from PubChem (CID 102187147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).