2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole

C10H11BrN4S — CID 126946853

IUPAC2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESBrc1cnn(C2CCN(c3nccs3)C2)c1
InChIInChI=1S/C10H11BrN4S/c11-8-5-13-15(6-8)9-1-3-14(7-9)10-12-2-4-16-10/h2,4-6,9H,1,3,7H2
InChIKeyPDOOHKCXZOWBCT-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.55
Rot. Bonds2

About 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole

2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 126946853) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID126946853
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESBrc1cnn(C2CCN(c3nccs3)C2)c1
InChIInChI=1S/C10H11BrN4S/c11-8-5-13-15(6-8)9-1-3-14(7-9)10-12-2-4-16-10/h2,4-6,9H,1,3,7H2
InChIKeyPDOOHKCXZOWBCT-UHFFFAOYSA-N
XLogP2.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole (CID 126946853) is 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole is Brc1cnn(C2CCN(c3nccs3)C2)c1.
What is the InChIKey of 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is PDOOHKCXZOWBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c11-8-5-13-15(6-8)9-1-3-14(7-9)10-12-2-4-16-10/h2,4-6,9H,1,3,7H2.
What are the key properties of 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole?
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 299.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 126946853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).