1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine

C18H19N3 — CID 83203407

IUPAC1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2N)c(C)c1
InChIInChI=1S/C18H19N3/c1-13-8-9-16(14(2)10-13)18-17(19)12-21(20-18)11-15-6-4-3-5-7-15/h3-10,12H,11,19H2,1-2H3
InChIKeyUPQJKYRARFPMCF-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.80
Rot. Bonds3

About 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine

1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine (PubChem CID 83203407) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
PubChem CID83203407
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2N)c(C)c1
InChIInChI=1S/C18H19N3/c1-13-8-9-16(14(2)10-13)18-17(19)12-21(20-18)11-15-6-4-3-5-7-15/h3-10,12H,11,19H2,1-2H3
InChIKeyUPQJKYRARFPMCF-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83204094
3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
CID 113228770
1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758588
1-benzyl-3-pyridin-2-ylpyrazol-4-amine
CID 83216358
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83205131
1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222416
1-[(4-methylphenyl)methyl]-3-(3-methylthiophen-2-yl)pyrazol-4-amine
CID 83222404
1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758609
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83223400
3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 107354952
1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine
CID 83222256
1-(3-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83204539

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine?
The IUPAC name of 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine (CID 83203407) is 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine is Cc1ccc(-c2nn(Cc3ccccc3)cc2N)c(C)c1.
What is the InChIKey of 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine?
The InChIKey is UPQJKYRARFPMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-8-9-16(14(2)10-13)18-17(19)12-21(20-18)11-15-6-4-3-5-7-15/h3-10,12H,11,19H2,1-2H3.
What are the key properties of 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine?
1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83203407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).