3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine

C20H18N4OS — CID 1498374

IUPAC3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1
InChIInChI=1S/C20H18N4OS/c1-13-3-5-15(6-4-13)18-12-26-20(22-18)24-19(21)11-17(23-24)14-7-9-16(25-2)10-8-14/h3-12H,21H2,1-2H3
InChIKeyUCZPQNGWMPRCBE-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.56
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine

3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine (PubChem CID 1498374) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
PubChem CID1498374
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1
InChIInChI=1S/C20H18N4OS/c1-13-3-5-15(6-4-13)18-12-26-20(22-18)24-19(21)11-17(23-24)14-7-9-16(25-2)10-8-14/h3-12H,21H2,1-2H3
InChIKeyUCZPQNGWMPRCBE-UHFFFAOYSA-N
XLogP4.56
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.56
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-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine (CID 1498374) is 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine is COc1ccc(-c2cc(N)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The InChIKey is UCZPQNGWMPRCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-3-5-15(6-4-13)18-12-26-20(22-18)24-19(21)11-17(23-24)14-7-9-16(25-2)10-8-14/h3-12H,21H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine has a molecular weight of 362.46 g/mol, XLogP of 4.56, 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-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-amine is sourced from PubChem (CID 1498374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).