5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole

C12H11Cl3N6 — CID 154281546

IUPAC5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
SMILESCCN1NNN=C1c1cnn(-c2cccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H11Cl3N6/c1-2-20-12(17-18-19-20)7-6-16-21(11(7)15)9-5-3-4-8(13)10(9)14/h3-6,18-19H,2H2,1H3
InChIKeyLPXSPYMBZUVECM-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.84
Rot. Bonds3

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

5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole (PubChem CID 154281546) has the molecular formula C12H11Cl3N6 and a molecular weight of 345.62 g/mol. Its IUPAC name is 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
PubChem CID154281546
Molecular FormulaC12H11Cl3N6
Molecular Weight345.62 g/mol
Exact Mass344.01
IUPAC Name5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
SMILESCCN1NNN=C1c1cnn(-c2cccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H11Cl3N6/c1-2-20-12(17-18-19-20)7-6-16-21(11(7)15)9-5-3-4-8(13)10(9)14/h3-6,18-19H,2H2,1H3
InChIKeyLPXSPYMBZUVECM-UHFFFAOYSA-N
XLogP2.84
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The IUPAC name of 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole (CID 154281546) is 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole.
What is the SMILES notation for 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The canonical SMILES for 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole is CCN1NNN=C1c1cnn(-c2cccc(Cl)c2Cl)c1Cl.
What is the InChIKey of 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The InChIKey is LPXSPYMBZUVECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N6/c1-2-20-12(17-18-19-20)7-6-16-21(11(7)15)9-5-3-4-8(13)10(9)14/h3-6,18-19H,2H2,1H3.
What are the key properties of 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole has a molecular weight of 345.62 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole is sourced from PubChem (CID 154281546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).