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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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).