N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline

C18H19N3 — CID 43784031

IUPACN-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2ccccc2-n2cccn2)cc1C
InChIInChI=1S/C18H19N3/c1-14-8-9-16(12-15(14)2)13-19-17-6-3-4-7-18(17)21-11-5-10-20-21/h3-12,19H,13H2,1-2H3
InChIKeyJULJDOUIVFFTSI-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.10
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline

N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 43784031) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
PubChem CID43784031
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2ccccc2-n2cccn2)cc1C
InChIInChI=1S/C18H19N3/c1-14-8-9-16(12-15(14)2)13-19-17-6-3-4-7-18(17)21-11-5-10-20-21/h3-12,19H,13H2,1-2H3
InChIKeyJULJDOUIVFFTSI-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 62122481
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
N-[(3,4-dimethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784452
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
2-methyl-6-[(2-pyrazol-1-ylanilino)methyl]phenol
CID 115904144
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
N-[(4-bromo-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66474810
N-[(4-fluoro-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62120050
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline (CID 43784031) is N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline is Cc1ccc(CNc2ccccc2-n2cccn2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is JULJDOUIVFFTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14-8-9-16(12-15(14)2)13-19-17-6-3-4-7-18(17)21-11-5-10-20-21/h3-12,19H,13H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline?
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 277.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 43784031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).