2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole

C18H15ClN6O — CID 154466290

IUPAC2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
SMILESCOc1ccc(-n2ncc(-c3nnn(Cc4ccccc4)n3)c2Cl)cc1
InChIInChI=1S/C18H15ClN6O/c1-26-15-9-7-14(8-10-15)25-17(19)16(11-20-25)18-21-23-24(22-18)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyHHSXALWPVZSPNO-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.24
Rot. Bonds5

About 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole

2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole (PubChem CID 154466290) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
PubChem CID154466290
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
SMILESCOc1ccc(-n2ncc(-c3nnn(Cc4ccccc4)n3)c2Cl)cc1
InChIInChI=1S/C18H15ClN6O/c1-26-15-9-7-14(8-10-15)25-17(19)16(11-20-25)18-21-23-24(22-18)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyHHSXALWPVZSPNO-UHFFFAOYSA-N
XLogP3.24
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-5-[5-[[4-(2-benzyltetrazol-5-yl)-1-(4-methoxyphenyl)pyrazol-5-yl]disulfanyl]-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
CID 90028710
2-benzyl-5-[5-benzylsulfanyl-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
CID 90028196
2-benzyl-5-[5-chloro-1-(3,5-dimethylphenyl)pyrazol-4-yl]tetrazole
CID 90033633
5-[1-(4-ethylphenyl)-5-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90021371
2-benzyl-5-[1-(3-bromophenyl)-5-chloropyrazol-4-yl]tetrazole
CID 90033956
5-[1-(2-chlorophenyl)-5-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029127
5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029387
5-[5-bromo-1-(3,5-dichlorophenyl)pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029730
2-benzyl-5-[5-[[4-(2-benzyltetrazol-5-yl)-1-phenylpyrazol-5-yl]disulfanyl]-1-phenylpyrazol-4-yl]tetrazole
CID 90030007
5-[1-(2-ethylphenyl)-5-[[1-(2-ethylphenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90028313
5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90021074
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole?
The IUPAC name of 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole (CID 154466290) is 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole.
What is the SMILES notation for 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole?
The canonical SMILES for 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole is COc1ccc(-n2ncc(-c3nnn(Cc4ccccc4)n3)c2Cl)cc1.
What is the InChIKey of 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole?
The InChIKey is HHSXALWPVZSPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-26-15-9-7-14(8-10-15)25-17(19)16(11-20-25)18-21-23-24(22-18)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole?
2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole has a molecular weight of 366.81 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole is sourced from PubChem (CID 154466290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).