5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole

C11H9BrN6 — CID 72545547

IUPAC5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
SMILESCc1nn(-c2cccc(Br)c2)cc1-c1nn[nH]n1
InChIInChI=1S/C11H9BrN6/c1-7-10(11-13-16-17-14-11)6-18(15-7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H,13,14,16,17)
InChIKeyCTPCQEVUWWNLCR-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.12
Rot. Bonds2

About 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole

5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole (PubChem CID 72545547) has the molecular formula C11H9BrN6 and a molecular weight of 305.14 g/mol. Its IUPAC name is 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
PubChem CID72545547
Molecular FormulaC11H9BrN6
Molecular Weight305.14 g/mol
Exact Mass304.01
IUPAC Name5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
SMILESCc1nn(-c2cccc(Br)c2)cc1-c1nn[nH]n1
InChIInChI=1S/C11H9BrN6/c1-7-10(11-13-16-17-14-11)6-18(15-7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H,13,14,16,17)
InChIKeyCTPCQEVUWWNLCR-UHFFFAOYSA-N
XLogP2.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
5-{2-[1-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-1h-pyrazol-4-yl]-ethyl}-1h-tetrazole
CID 25152468
1-(3-Bromophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545296
5-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545297
5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545541
5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545542
5-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545543
5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545544
5-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545545
5-[1-(4-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545546
3-[2-(3-Bromophenyl)-2H-tetrazol-5-yl]pyridine
CID 73213040
1-(3-bromophenyl)-4-methyl-1H-pyrazole
CID 50987738

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole (CID 72545547) is 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole is Cc1nn(-c2cccc(Br)c2)cc1-c1nn[nH]n1.
What is the InChIKey of 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The InChIKey is CTPCQEVUWWNLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN6/c1-7-10(11-13-16-17-14-11)6-18(15-7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H,13,14,16,17).
What are the key properties of 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole has a molecular weight of 305.14 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 72545547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).