3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine

C19H16N4S — CID 1498376

IUPAC3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C19H16N4S/c1-13-7-9-15(10-8-13)16-11-18(20)23(22-16)19-21-17(12-24-19)14-5-3-2-4-6-14/h2-12H,20H2,1H3
InChIKeyXSEHUOMUPIFUES-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.55
Rot. Bonds3

About 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine

3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 1498376) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID1498376
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C19H16N4S/c1-13-7-9-15(10-8-13)16-11-18(20)23(22-16)19-21-17(12-24-19)14-5-3-2-4-6-14/h2-12H,20H2,1H3
InChIKeyXSEHUOMUPIFUES-UHFFFAOYSA-N
XLogP4.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine (CID 1498376) is 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine is Cc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is XSEHUOMUPIFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-13-7-9-15(10-8-13)16-11-18(20)23(22-16)19-21-17(12-24-19)14-5-3-2-4-6-14/h2-12H,20H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 332.43 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 1498376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).