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

C18H19N3 — CID 43705670

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

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

N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 43705670) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
PubChem CID43705670
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2ccccc2-n2cccn2)c(C)c1
InChIInChI=1S/C18H19N3/c1-14-8-9-16(15(2)12-14)13-19-17-6-3-4-7-18(17)21-11-5-10-20-21/h3-12,19H,13H2,1-2H3
InChIKeyPLWBCQZSKJARGZ-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-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
2-methyl-6-[(2-pyrazol-1-ylanilino)methyl]phenol
CID 115904144
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 62122481
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline
CID 99634183
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
N-[(2,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 79041859
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline (CID 43705670) is N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline is Cc1ccc(CNc2ccccc2-n2cccn2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is PLWBCQZSKJARGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14-8-9-16(15(2)12-14)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-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline?
N-[(2,4-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-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 43705670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).