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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Related Compounds

4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
CID 126946921
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 126947072
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126947061
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
N,N-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130709244
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 126947079
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole
CID 126947018
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137209351

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).