4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline

C24H23N3 — CID 53474364

IUPAC4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
SMILESCc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23N3/c1-18-8-12-20(13-9-18)24-21(16-25-22-14-10-19(2)11-15-22)17-27(26-24)23-6-4-3-5-7-23/h3-15,17,25H,16H2,1-2H3
InChIKeyMHXDVYYNSCBZQL-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.77
Rot. Bonds5

About 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline

4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline (PubChem CID 53474364) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
PubChem CID53474364
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
SMILESCc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23N3/c1-18-8-12-20(13-9-18)24-21(16-25-22-14-10-19(2)11-15-22)17-27(26-24)23-6-4-3-5-7-23/h3-15,17,25H,16H2,1-2H3
InChIKeyMHXDVYYNSCBZQL-UHFFFAOYSA-N
XLogP5.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-carboxyphenyl)-4-[(4-methylanilino)methyl]pyrazol-3-yl]benzoic acid
CID 155808677
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 31536512
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
1-[4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722952
4-[4-[(4-methoxyanilino)methyl]-3-phenylpyrazol-1-yl]benzoic acid
CID 155808729
4-[1-(4-carboxyphenyl)-4-[(4-methoxyanilino)methyl]pyrazol-3-yl]benzoic acid
CID 155808884
4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509853
N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide
CID 154835621
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
4-[4-[(4-phenoxyanilino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid
CID 165416012
1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
CID 31738776
N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline
CID 21236227

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline?
The IUPAC name of 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline (CID 53474364) is 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline.
What is the SMILES notation for 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline?
The canonical SMILES for 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline is Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline?
The InChIKey is MHXDVYYNSCBZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-18-8-12-20(13-9-18)24-21(16-25-22-14-10-19(2)11-15-22)17-27(26-24)23-6-4-3-5-7-23/h3-15,17,25H,16H2,1-2H3.
What are the key properties of 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline?
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline has a molecular weight of 353.47 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline is sourced from PubChem (CID 53474364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).