5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole

C11H11BrN6S — CID 166399814

IUPAC5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole
SMILESBrc1cnn(CCc2nnnn2Cc2cccs2)c1
InChIInChI=1S/C11H11BrN6S/c12-9-6-13-17(7-9)4-3-11-14-15-16-18(11)8-10-2-1-5-19-10/h1-2,5-7H,3-4,8H2
InChIKeyGHWMCSKNDFSRLY-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.98
Rot. Bonds5

About 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole

5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole (PubChem CID 166399814) has the molecular formula C11H11BrN6S and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole
PubChem CID166399814
Molecular FormulaC11H11BrN6S
Molecular Weight339.22 g/mol
Exact Mass337.99
IUPAC Name5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole
SMILESBrc1cnn(CCc2nnnn2Cc2cccs2)c1
InChIInChI=1S/C11H11BrN6S/c12-9-6-13-17(7-9)4-3-11-14-15-16-18(11)8-10-2-1-5-19-10/h1-2,5-7H,3-4,8H2
InChIKeyGHWMCSKNDFSRLY-UHFFFAOYSA-N
XLogP1.98
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-((4-bromothiophen-2-yl)methyl)-1H-pyrazol-5-amine
CID 2526140
5-[(4-methyl-1H-pyrazol-1-yl)methyl]-3-(2-thienylmethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 72921840
1-Methyl-4-[5-methyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
CID 50898192
1-[Pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole
CID 14116633
3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 59860330
1-methyl-4-[5-methyl-4-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]-1H-pyrazol-5-amine
CID 1477793
5-[2-(4-Bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332881
2-[2-(4-Bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole
CID 56786433
3-Methyl-5-[5-(4-methylpyrazol-1-yl)pentylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole
CID 60288239
N-[(4-bromothiophen-2-yl)methyl]-1-methyl-1H-pyrazol-3-amine
CID 60810318
4-Bromo-1-(thiophen-2-ylmethyl)-1H-pyrazol-3-amine
CID 61176754
4-Bromo-1-(1-thiophen-2-ylethyl)pyrazol-5-amine
CID 61732347

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole?
The IUPAC name of 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole (CID 166399814) is 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole?
The canonical SMILES for 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole is Brc1cnn(CCc2nnnn2Cc2cccs2)c1.
What is the InChIKey of 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole?
The InChIKey is GHWMCSKNDFSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6S/c12-9-6-13-17(7-9)4-3-11-14-15-16-18(11)8-10-2-1-5-19-10/h1-2,5-7H,3-4,8H2.
What are the key properties of 5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole?
5-[2-(4-bromopyrazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)tetrazole has a molecular weight of 339.22 g/mol, XLogP of 1.98, 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)ethyl]-1-(thiophen-2-ylmethyl)tetrazole is sourced from PubChem (CID 166399814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).