5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole

C17H13Cl3N2 — CID 59694406

IUPAC5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole
SMILESClc1ccc(-c2cc(CCc3ccccc3Cl)[nH]n2)c(Cl)c1
InChIInChI=1S/C17H13Cl3N2/c18-12-6-8-14(16(20)9-12)17-10-13(21-22-17)7-5-11-3-1-2-4-15(11)19/h1-4,6,8-10H,5,7H2,(H,21,22)
InChIKeyODLAFHWKGALAJL-UHFFFAOYSA-N
MW351.66 g/mol
LogP5.82
Rot. Bonds4

About 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole

5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole (PubChem CID 59694406) has the molecular formula C17H13Cl3N2 and a molecular weight of 351.66 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole
PubChem CID59694406
Molecular FormulaC17H13Cl3N2
Molecular Weight351.66 g/mol
Exact Mass350.01
IUPAC Name5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole
SMILESClc1ccc(-c2cc(CCc3ccccc3Cl)[nH]n2)c(Cl)c1
InChIInChI=1S/C17H13Cl3N2/c18-12-6-8-14(16(20)9-12)17-10-13(21-22-17)7-5-11-3-1-2-4-15(11)19/h1-4,6,8-10H,5,7H2,(H,21,22)
InChIKeyODLAFHWKGALAJL-UHFFFAOYSA-N
XLogP5.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-1H-pyridazin-6-one
CID 43583824
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19333590
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole
CID 136926372
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol
CID 170556882
3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide
CID 134315879
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol
CID 3807261
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole?
The IUPAC name of 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole (CID 59694406) is 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole is Clc1ccc(-c2cc(CCc3ccccc3Cl)[nH]n2)c(Cl)c1.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole?
The InChIKey is ODLAFHWKGALAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2/c18-12-6-8-14(16(20)9-12)17-10-13(21-22-17)7-5-11-3-1-2-4-15(11)19/h1-4,6,8-10H,5,7H2,(H,21,22).
What are the key properties of 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole?
5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole has a molecular weight of 351.66 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole is sourced from PubChem (CID 59694406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).