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

C11H8Cl2N6 — CID 72545540

IUPAC5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)cc1-c1nn[nH]n1
InChIInChI=1S/C11H8Cl2N6/c1-6-8(11-14-17-18-15-11)5-19(16-6)7-2-3-9(12)10(13)4-7/h2-5H,1H3,(H,14,15,17,18)
InChIKeyJTJXDLDPMDYVOB-UHFFFAOYSA-N
MW295.13 g/mol
LogP2.67
Rot. Bonds2

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

5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole (PubChem CID 72545540) has the molecular formula C11H8Cl2N6 and a molecular weight of 295.13 g/mol. Its IUPAC name is 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
PubChem CID72545540
Molecular FormulaC11H8Cl2N6
Molecular Weight295.13 g/mol
Exact Mass294.02
IUPAC Name5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)cc1-c1nn[nH]n1
InChIInChI=1S/C11H8Cl2N6/c1-6-8(11-14-17-18-15-11)5-19(16-6)7-2-3-9(12)10(13)4-7/h2-5H,1H3,(H,14,15,17,18)
InChIKeyJTJXDLDPMDYVOB-UHFFFAOYSA-N
XLogP2.67
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 52.67
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
2-Chloro-3-[2-(3,4-dichlorophenyl)-5-tetrazolyl]pyridine
CID 16066630
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
3-[2-(3,4-Dichlorophenyl)-5-tetrazolyl]pyridine
CID 16066639
1-(4-Chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
CID 2825884
1-(3,4-Dichlorophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545062
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
5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545541
5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545542

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole (CID 72545540) is 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole is Cc1nn(-c2ccc(Cl)c(Cl)c2)cc1-c1nn[nH]n1.
What is the InChIKey of 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The InChIKey is JTJXDLDPMDYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N6/c1-6-8(11-14-17-18-15-11)5-19(16-6)7-2-3-9(12)10(13)4-7/h2-5H,1H3,(H,14,15,17,18).
What are the key properties of 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole has a molecular weight of 295.13 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 72545540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).