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

C11H9ClN6 — CID 72545541

IUPAC5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
SMILESCc1nn(-c2ccc(Cl)cc2)cc1-c1nn[nH]n1
InChIInChI=1S/C11H9ClN6/c1-7-10(11-13-16-17-14-11)6-18(15-7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,14,16,17)
InChIKeyQKDSTAOKAYAVHZ-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.01
Rot. Bonds2

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

5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole (PubChem CID 72545541) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
PubChem CID72545541
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
SMILESCc1nn(-c2ccc(Cl)cc2)cc1-c1nn[nH]n1
InChIInChI=1S/C11H9ClN6/c1-7-10(11-13-16-17-14-11)6-18(15-7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,14,16,17)
InChIKeyQKDSTAOKAYAVHZ-UHFFFAOYSA-N
XLogP2.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-4-(1H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-3-amine
CID 2806140
5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
1-(3,5-dichlorophenyl)-4-(2H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-5-amine
CID 2806186
1-(4-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-1,2,3,4-tetraazole
CID 1490715
5-{2-[1-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-1h-pyrazol-4-yl]-ethyl}-1h-tetrazole
CID 25152468
1-(4-Chlorophenyl)-1H-pyrazol-3-amine
CID 13626945
1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine
CID 2806191
1-(4-Chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
CID 2825884
1-(4-Chlorophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545291
5-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545297
5-[1-(2,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545298
5-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545539

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole (CID 72545541) is 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole is Cc1nn(-c2ccc(Cl)cc2)cc1-c1nn[nH]n1.
What is the InChIKey of 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The InChIKey is QKDSTAOKAYAVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c1-7-10(11-13-16-17-14-11)6-18(15-7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,14,16,17).
What are the key properties of 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole has a molecular weight of 260.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 72545541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).