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

C40H38N10 — CID 139161656

IUPAC4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline
SMILESCc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1
InChIInChI=1S/2C20H19N5/c2*1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25/h2*3-14,23H,1-2H3
InChIKeyWOERCAWOKDHEMK-UHFFFAOYSA-N
MW658.81 g/mol
LogP8.84
Rot. Bonds8

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

4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline (PubChem CID 139161656) has the molecular formula C40H38N10 and a molecular weight of 658.81 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline
PubChem CID139161656
Molecular FormulaC40H38N10
Molecular Weight658.81 g/mol
Exact Mass658.33
IUPAC Name4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline
SMILESCc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1
InChIInChI=1S/2C20H19N5/c2*1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25/h2*3-14,23H,1-2H3
InChIKeyWOERCAWOKDHEMK-UHFFFAOYSA-N
XLogP8.84
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.81
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
CID 72700414
1,2-Bis((3-(1-(4-fluorophenyl)-5-methyl-1h-1,2,3-triazol-4-yl)-1-phenyl-1h-pyrazol-4-yl)methylene)hydrazine
CID 129729324
Bis((4-methyl-2-pyrazol-1-ylphenyl)-[2-pyrazol-1-yl-4-(trifluoromethyl)phenyl]azanide);nickel(2+)
CID 139142453
1-[4-(Triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-[4-(triazol-2-ylmethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 161729762
1-[4-(Pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-[4-(triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 161790511
1-[2,4-Dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole
CID 91014769
4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline
CID 91472752
4-methyl-N-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]-2-(3-methylpyrazol-1-yl)aniline
CID 101534969
N-(2-diphenylphosphanylphenyl)-4-methyl-2-pyrazol-1-ylaniline
CID 102444262
1,2-Bis((3-(5-methyl-1-(4-tolyl)-1h-1,2,3-triazol-4-yl)-1-phenyl-1h-pyrazol-4-yl)methylene)hydrazine
CID 129729318
1,2-Bis((3-(5-methyl-1-phenyl-1h-1,2,3-triazol-4-yl)-1-phenyl-1h-pyrazol-4-yl)methylene)hydrazine
CID 129729320
4-[Tri(pyrazol-1-yl)methyl]aniline
CID 139090539

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline?
The IUPAC name of 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline (CID 139161656) is 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline is Cc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.Cc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.
What is the InChIKey of 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline?
The InChIKey is WOERCAWOKDHEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19N5/c2*1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25/h2*3-14,23H,1-2H3.
What are the key properties of 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline?
4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline has a molecular weight of 658.81 g/mol, XLogP of 8.84, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 139161656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).