5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole

C22H17ClN6S — CID 27056234

IUPAC5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cnn(-c3ccc(C)c(Cl)c3)c2-c2cccs2)cc1
InChIInChI=1S/C22H17ClN6S/c1-14-5-8-16(9-6-14)29-22(25-26-27-29)18-13-24-28(21(18)20-4-3-11-30-20)17-10-7-15(2)19(23)12-17/h3-13H,1-2H3
InChIKeyWYPRJDROPBYVNV-UHFFFAOYSA-N
MW432.94 g/mol
LogP5.51
Rot. Bonds4

About 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole

5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole (PubChem CID 27056234) has the molecular formula C22H17ClN6S and a molecular weight of 432.94 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole
PubChem CID27056234
Molecular FormulaC22H17ClN6S
Molecular Weight432.94 g/mol
Exact Mass432.09
IUPAC Name5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cnn(-c3ccc(C)c(Cl)c3)c2-c2cccs2)cc1
InChIInChI=1S/C22H17ClN6S/c1-14-5-8-16(9-6-14)29-22(25-26-27-29)18-13-24-28(21(18)20-4-3-11-30-20)17-10-7-15(2)19(23)12-17/h3-13H,1-2H3
InChIKeyWYPRJDROPBYVNV-UHFFFAOYSA-N
XLogP5.51
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.94
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-4-yl)tetrazole
CID 135889230
4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine
CID 1046859
5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
CID 829537
5-[1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 4655550
2-(3,5-dichlorophenyl)-5-(1-phenyltetrazol-5-yl)-4-thiophen-2-ylpyrimidine
CID 27183279
2-[1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46824444
4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine
CID 11836171
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325
3-(5-thiophen-2-yltetrazol-1-yl)benzenesulfonic acid
CID 141086571
1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
CID 60866837
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61354046
5,7-dichloro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole
CID 822895

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole (CID 27056234) is 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(C)c(Cl)c3)c2-c2cccs2)cc1.
What is the InChIKey of 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The InChIKey is WYPRJDROPBYVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6S/c1-14-5-8-16(9-6-14)29-22(25-26-27-29)18-13-24-28(21(18)20-4-3-11-30-20)17-10-7-15(2)19(23)12-17/h3-13H,1-2H3.
What are the key properties of 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole has a molecular weight of 432.94 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 27056234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).