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

C19H15BrN4OS — CID 1498372

IUPAC1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1
InChIInChI=1S/C19H15BrN4OS/c1-25-15-8-4-12(5-9-15)16-10-18(21)24(23-16)19-22-17(11-26-19)13-2-6-14(20)7-3-13/h2-11H,21H2,1H3
InChIKeyHNEZTKIDMAZXRO-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.02
Rot. Bonds4

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

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine (PubChem CID 1498372) has the molecular formula C19H15BrN4OS and a molecular weight of 427.33 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine
PubChem CID1498372
Molecular FormulaC19H15BrN4OS
Molecular Weight427.33 g/mol
Exact Mass426.01
IUPAC Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1
InChIInChI=1S/C19H15BrN4OS/c1-25-15-8-4-12(5-9-15)16-10-18(21)24(23-16)19-22-17(11-26-19)13-2-6-14(20)7-3-13/h2-11H,21H2,1H3
InChIKeyHNEZTKIDMAZXRO-UHFFFAOYSA-N
XLogP5.02
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine (CID 1498372) is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine is COc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine?
The InChIKey is HNEZTKIDMAZXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4OS/c1-25-15-8-4-12(5-9-15)16-10-18(21)24(23-16)19-22-17(11-26-19)13-2-6-14(20)7-3-13/h2-11H,21H2,1H3.
What are the key properties of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine?
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine has a molecular weight of 427.33 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 1498372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).