5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole

C11H15BrN6S — CID 56786445

IUPAC5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole
SMILESBrc1cnn(CCSc2nnnn2C2CCCC2)c1
InChIInChI=1S/C11H15BrN6S/c12-9-7-13-17(8-9)5-6-19-11-14-15-16-18(11)10-3-1-2-4-10/h7-8,10H,1-6H2
InChIKeyMHJFGBSNOFBOCL-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.54
Rot. Bonds5

About 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole

5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole (PubChem CID 56786445) has the molecular formula C11H15BrN6S and a molecular weight of 343.25 g/mol. Its IUPAC name is 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole.

Molecular Properties

Compound Name5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole
PubChem CID56786445
Molecular FormulaC11H15BrN6S
Molecular Weight343.25 g/mol
Exact Mass342.03
IUPAC Name5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole
SMILESBrc1cnn(CCSc2nnnn2C2CCCC2)c1
InChIInChI=1S/C11H15BrN6S/c12-9-7-13-17(8-9)5-6-19-11-14-15-16-18(11)10-3-1-2-4-10/h7-8,10H,1-6H2
InChIKeyMHJFGBSNOFBOCL-UHFFFAOYSA-N
XLogP2.54
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
CID 43445926
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
2-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropyl]isoindole-1,3-dione
CID 35192052
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
1-[3-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pyrazol-3-amine
CID 63310896
3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine
CID 62357887
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35363829
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole?
The IUPAC name of 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole (CID 56786445) is 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole.
What is the SMILES notation for 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole?
The canonical SMILES for 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole is Brc1cnn(CCSc2nnnn2C2CCCC2)c1.
What is the InChIKey of 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole?
The InChIKey is MHJFGBSNOFBOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6S/c12-9-7-13-17(8-9)5-6-19-11-14-15-16-18(11)10-3-1-2-4-10/h7-8,10H,1-6H2.
What are the key properties of 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole?
5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole has a molecular weight of 343.25 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole is sourced from PubChem (CID 56786445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).