3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine

C15H16N4OS — CID 84592280

IUPAC3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCOc1cccc(-c2cc(NCc3cscn3)n(C)n2)c1
InChIInChI=1S/C15H16N4OS/c1-19-15(16-8-12-9-21-10-17-12)7-14(18-19)11-4-3-5-13(6-11)20-2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyBZQHZPXFBCODOP-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.16
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine

3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (PubChem CID 84592280) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
PubChem CID84592280
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCOc1cccc(-c2cc(NCc3cscn3)n(C)n2)c1
InChIInChI=1S/C15H16N4OS/c1-19-15(16-8-12-9-21-10-17-12)7-14(18-19)11-4-3-5-13(6-11)20-2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyBZQHZPXFBCODOP-UHFFFAOYSA-N
XLogP3.16
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (CID 84592280) is 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is COc1cccc(-c2cc(NCc3cscn3)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The InChIKey is BZQHZPXFBCODOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-19-15(16-8-12-9-21-10-17-12)7-14(18-19)11-4-3-5-13(6-11)20-2/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine has a molecular weight of 300.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 84592280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).