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

C19H16N4OS — CID 852600

IUPAC3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C19H16N4OS/c1-24-15-9-7-14(8-10-15)16-11-18(20)23(22-16)19-21-17(12-25-19)13-5-3-2-4-6-13/h2-12H,20H2,1H3
InChIKeyXONCBPKNOQGECI-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.25
Rot. Bonds4

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

3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 852600) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID852600
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C19H16N4OS/c1-24-15-9-7-14(8-10-15)16-11-18(20)23(22-16)19-21-17(12-25-19)13-5-3-2-4-6-13/h2-12H,20H2,1H3
InChIKeyXONCBPKNOQGECI-UHFFFAOYSA-N
XLogP4.25
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine (CID 852600) is 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine is COc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is XONCBPKNOQGECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-15-9-7-14(8-10-15)16-11-18(20)23(22-16)19-21-17(12-25-19)13-5-3-2-4-6-13/h2-12H,20H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine?
3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 348.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 852600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).