5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole

C14H15BrN6O — CID 90021074

IUPAC5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole
SMILESCCn1ncc(-c2nnn(Cc3ccc(OC)cc3)n2)c1Br
InChIInChI=1S/C14H15BrN6O/c1-3-20-13(15)12(8-16-20)14-17-19-21(18-14)9-10-4-6-11(22-2)7-5-10/h4-8H,3,9H2,1-2H3
InChIKeyVJWDDOSTXIFHRR-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.38
Rot. Bonds5

About 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole

5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole (PubChem CID 90021074) has the molecular formula C14H15BrN6O and a molecular weight of 363.22 g/mol. Its IUPAC name is 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole
PubChem CID90021074
Molecular FormulaC14H15BrN6O
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole
SMILESCCn1ncc(-c2nnn(Cc3ccc(OC)cc3)n2)c1Br
InChIInChI=1S/C14H15BrN6O/c1-3-20-13(15)12(8-16-20)14-17-19-21(18-14)9-10-4-6-11(22-2)7-5-10/h4-8H,3,9H2,1-2H3
InChIKeyVJWDDOSTXIFHRR-UHFFFAOYSA-N
XLogP2.38
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-bromo-1-(3,5-dichlorophenyl)pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029730
4-[[5-[5-bromo-1-(2-methylpropyl)pyrazol-4-yl]tetrazol-2-yl]methyl]benzonitrile
CID 90030046
5-[1-(4-ethylphenyl)-5-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90021371
5-[1-(2-ethylphenyl)-5-[[1-(2-ethylphenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90028313
3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine
CID 139773721
2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
CID 154466290
5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole
CID 154492325
5-[1-(2-chlorophenyl)-5-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029127
5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029387
2-benzyl-5-[5-[[4-(2-benzyltetrazol-5-yl)-1-(4-methoxyphenyl)pyrazol-5-yl]disulfanyl]-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
CID 90028710
5-(3,5-diiodophenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773840
2-benzyl-5-[5-benzylsulfanyl-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
CID 90028196

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole (CID 90021074) is 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole is CCn1ncc(-c2nnn(Cc3ccc(OC)cc3)n2)c1Br.
What is the InChIKey of 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole?
The InChIKey is VJWDDOSTXIFHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6O/c1-3-20-13(15)12(8-16-20)14-17-19-21(18-14)9-10-4-6-11(22-2)7-5-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole?
5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole has a molecular weight of 363.22 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 90021074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).