1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine

C18H22N4S — CID 167900039

IUPAC1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
SMILESCc1ccc(C)c(-n2ncc(NC(C)c3cnc(C)s3)c2C)c1
InChIInChI=1S/C18H22N4S/c1-11-6-7-12(2)17(8-11)22-14(4)16(9-20-22)21-13(3)18-10-19-15(5)23-18/h6-10,13,21H,1-5H3
InChIKeyPQAKEVIYNZWAPH-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.74
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine

1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine (PubChem CID 167900039) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
PubChem CID167900039
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
SMILESCc1ccc(C)c(-n2ncc(NC(C)c3cnc(C)s3)c2C)c1
InChIInChI=1S/C18H22N4S/c1-11-6-7-12(2)17(8-11)22-14(4)16(9-20-22)21-13(3)18-10-19-15(5)23-18/h6-10,13,21H,1-5H3
InChIKeyPQAKEVIYNZWAPH-UHFFFAOYSA-N
XLogP4.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine (CID 167900039) is 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine is Cc1ccc(C)c(-n2ncc(NC(C)c3cnc(C)s3)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The InChIKey is PQAKEVIYNZWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-11-6-7-12(2)17(8-11)22-14(4)16(9-20-22)21-13(3)18-10-19-15(5)23-18/h6-10,13,21H,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine has a molecular weight of 326.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 167900039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).