1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole

C19H19ClN6 — CID 154466289

IUPAC1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole
SMILESCCc1ccc(-n2ncc(C3=NNNN3Cc3ccccc3)c2Cl)cc1
InChIInChI=1S/C19H19ClN6/c1-2-14-8-10-16(11-9-14)26-18(20)17(12-21-26)19-22-23-24-25(19)13-15-6-4-3-5-7-15/h3-12,23-24H,2,13H2,1H3
InChIKeyZXOGKKTXLFFRLJ-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.27
Rot. Bonds5

About 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole

1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole (PubChem CID 154466289) has the molecular formula C19H19ClN6 and a molecular weight of 366.86 g/mol. Its IUPAC name is 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole.

Molecular Properties

Compound Name1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole
PubChem CID154466289
Molecular FormulaC19H19ClN6
Molecular Weight366.86 g/mol
Exact Mass366.14
IUPAC Name1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole
SMILESCCc1ccc(-n2ncc(C3=NNNN3Cc3ccccc3)c2Cl)cc1
InChIInChI=1S/C19H19ClN6/c1-2-14-8-10-16(11-9-14)26-18(20)17(12-21-26)19-22-23-24-25(19)13-15-6-4-3-5-7-15/h3-12,23-24H,2,13H2,1H3
InChIKeyZXOGKKTXLFFRLJ-UHFFFAOYSA-N
XLogP3.27
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
CID 90028648
5-[1-(4-ethylphenyl)-5-iodopyrazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2,3-dihydrotetrazole
CID 90030538
1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole
CID 90030008
1-benzyl-5-[5-benzylsulfanyl-1-(2-methylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole
CID 90034157
5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-propan-2-yl-2,3-dihydrotetrazole
CID 90028393
5-[5-bromo-1-(4-chlorophenyl)pyrazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2,3-dihydrotetrazole
CID 154466327
5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
CID 154281546
5-[5-iodo-1-(2-methylphenyl)pyrazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2,3-dihydrotetrazole
CID 90029721
4-(1-benzyl-2,3-dihydrotetrazol-5-yl)-2-methyl-1H-pyrazole-3-thione
CID 90028976
2-benzyl-5-[5-chloro-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
CID 154466290
5-[5-benzylsulfanyl-1-(3,4-dichlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
CID 90028145
5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
CID 154466267

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole?
The IUPAC name of 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole (CID 154466289) is 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole.
What is the SMILES notation for 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole?
The canonical SMILES for 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole is CCc1ccc(-n2ncc(C3=NNNN3Cc3ccccc3)c2Cl)cc1.
What is the InChIKey of 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole?
The InChIKey is ZXOGKKTXLFFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6/c1-2-14-8-10-16(11-9-14)26-18(20)17(12-21-26)19-22-23-24-25(19)13-15-6-4-3-5-7-15/h3-12,23-24H,2,13H2,1H3.
What are the key properties of 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole?
1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole has a molecular weight of 366.86 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole is sourced from PubChem (CID 154466289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).