5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole

C14H17BrN6 — CID 154466267

IUPAC5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
SMILESCCc1ccccc1-n1ncc(C2=NNNN2CC)c1Br
InChIInChI=1S/C14H17BrN6/c1-3-10-7-5-6-8-12(10)21-13(15)11(9-16-21)14-17-18-19-20(14)4-2/h5-9,18-19H,3-4H2,1-2H3
InChIKeyZYQVRKSGAJRFKY-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.20
Rot. Bonds4

About 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole

5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole (PubChem CID 154466267) has the molecular formula C14H17BrN6 and a molecular weight of 349.24 g/mol. Its IUPAC name is 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
PubChem CID154466267
Molecular FormulaC14H17BrN6
Molecular Weight349.24 g/mol
Exact Mass348.07
IUPAC Name5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
SMILESCCc1ccccc1-n1ncc(C2=NNNN2CC)c1Br
InChIInChI=1S/C14H17BrN6/c1-3-10-7-5-6-8-12(10)21-13(15)11(9-16-21)14-17-18-19-20(14)4-2/h5-9,18-19H,3-4H2,1-2H3
InChIKeyZYQVRKSGAJRFKY-UHFFFAOYSA-N
XLogP2.20
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
CID 154281546
5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
CID 90028648
5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole
CID 90029070
5-[5-bromo-1-(4-chlorophenyl)pyrazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2,3-dihydrotetrazole
CID 154466327
5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
CID 154466253
1-benzyl-5-[5-benzylsulfanyl-1-(2-methylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole
CID 90034157
(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634303
5-[5-iodo-1-(2-methylphenyl)pyrazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2,3-dihydrotetrazole
CID 90029721
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
4-(chloromethyl)-1-(2-ethylphenyl)-5-methylpyrazole
CID 82528707
5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82528696
2-(2-ethylphenyl)-4H-1,2,4-triazol-3-one
CID 137200434

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The IUPAC name of 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole (CID 154466267) is 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole.
What is the SMILES notation for 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The canonical SMILES for 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole is CCc1ccccc1-n1ncc(C2=NNNN2CC)c1Br.
What is the InChIKey of 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The InChIKey is ZYQVRKSGAJRFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6/c1-3-10-7-5-6-8-12(10)21-13(15)11(9-16-21)14-17-18-19-20(14)4-2/h5-9,18-19H,3-4H2,1-2H3.
What are the key properties of 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole has a molecular weight of 349.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole is sourced from PubChem (CID 154466267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).