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

C11H13BrN4S — CID 126947018

IUPAC4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole
SMILESBrc1cnn(C2CCN(Cc3cnsc3)C2)c1
InChIInChI=1S/C11H13BrN4S/c12-10-4-13-16(6-10)11-1-2-15(7-11)5-9-3-14-17-8-9/h3-4,6,8,11H,1-2,5,7H2
InChIKeyXWWJZHJTEBXMFM-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.55
Rot. Bonds3

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

4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole (PubChem CID 126947018) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole.

Molecular Properties

Compound Name4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole
PubChem CID126947018
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole
SMILESBrc1cnn(C2CCN(Cc3cnsc3)C2)c1
InChIInChI=1S/C11H13BrN4S/c12-10-4-13-16(6-10)11-1-2-15(7-11)5-9-3-14-17-8-9/h3-4,6,8,11H,1-2,5,7H2
InChIKeyXWWJZHJTEBXMFM-UHFFFAOYSA-N
XLogP2.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[1-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948754
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 126946968
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 126947130
2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126946939
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126947027
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole
CID 126946981
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
CID 126946963
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
1-[2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepan-2-one
CID 126947041
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
[3-[[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751885
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole?
The IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole (CID 126947018) is 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole.
What is the SMILES notation for 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole?
The canonical SMILES for 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole is Brc1cnn(C2CCN(Cc3cnsc3)C2)c1.
What is the InChIKey of 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole?
The InChIKey is XWWJZHJTEBXMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c12-10-4-13-16(6-10)11-1-2-15(7-11)5-9-3-14-17-8-9/h3-4,6,8,11H,1-2,5,7H2.
What are the key properties of 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole?
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole has a molecular weight of 313.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole is sourced from PubChem (CID 126947018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).