3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine

C18H19N3 — CID 43336371

IUPAC3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCc1cccc(-c2nn(C)c(N)c2-c2ccccc2)c1C
InChIInChI=1S/C18H19N3/c1-12-8-7-11-15(13(12)2)17-16(18(19)21(3)20-17)14-9-5-4-6-10-14/h4-11H,19H2,1-3H3
InChIKeyVCKPJSVLYMGFSI-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.95
Rot. Bonds2

About 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine

3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine (PubChem CID 43336371) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
PubChem CID43336371
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCc1cccc(-c2nn(C)c(N)c2-c2ccccc2)c1C
InChIInChI=1S/C18H19N3/c1-12-8-7-11-15(13(12)2)17-16(18(19)21(3)20-17)14-9-5-4-6-10-14/h4-11H,19H2,1-3H3
InChIKeyVCKPJSVLYMGFSI-UHFFFAOYSA-N
XLogP3.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43629973
3-(2,3-dimethylphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670733
4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
CID 43560840
1-methyl-3-(2-methylphenyl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521659
3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79990533
5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine
CID 62017531
1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921938
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
3-(4-iodophenyl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 43336269
3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524493
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine (CID 43336371) is 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine is Cc1cccc(-c2nn(C)c(N)c2-c2ccccc2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The InChIKey is VCKPJSVLYMGFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-8-7-11-15(13(12)2)17-16(18(19)21(3)20-17)14-9-5-4-6-10-14/h4-11H,19H2,1-3H3.
What are the key properties of 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine has a molecular weight of 277.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 43336371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).