4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole

C9H5Cl3N2 — CID 22326155

IUPAC4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole
SMILESClc1cc(Cl)cc(-c2[nH]ncc2Cl)c1
InChIInChI=1S/C9H5Cl3N2/c10-6-1-5(2-7(11)3-6)9-8(12)4-13-14-9/h1-4H,(H,13,14)
InChIKeyGNZJYPDFBXXVEO-UHFFFAOYSA-N
MW247.51 g/mol
LogP4.04
Rot. Bonds1

About 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole

4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole (PubChem CID 22326155) has the molecular formula C9H5Cl3N2 and a molecular weight of 247.51 g/mol. Its IUPAC name is 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole
PubChem CID22326155
Molecular FormulaC9H5Cl3N2
Molecular Weight247.51 g/mol
Exact Mass245.95
IUPAC Name4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole
SMILESClc1cc(Cl)cc(-c2[nH]ncc2Cl)c1
InChIInChI=1S/C9H5Cl3N2/c10-6-1-5(2-7(11)3-6)9-8(12)4-13-14-9/h1-4H,(H,13,14)
InChIKeyGNZJYPDFBXXVEO-UHFFFAOYSA-N
XLogP4.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-1H-pyrazole
CID 714291
7-Chloro-1H-indazole
CID 11116249
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-(2-chlorophenyl)-3-methyl-1H-pyrazole
CID 2805460
3-(2,6-Dichlorostyryl)-1H-Pyrazole
CID 5713978
4-(4-chlorophenyl)-1H-pyrazole
CID 4425519
3-(4-chlorophenyl)-4H-pyrazol-4-one N-phenylhydrazone
CID 3669408
5-(3,4-dichlorophenyl)-1H-pyrazole
CID 2736075
3-(4-Chlorophenyl)-1H-pyrazol-4-amine
CID 13303421
4-fluoro-3-phenyl-1H-pyrazole
CID 49831422
2-chloro-4-(1H-pyrazol-3-yl)benzonitrile
CID 67170102
3-(4-methylphenyl)-4H-pyrazol-4-one N-(3,5-dichlorophenyl)hydrazone
CID 4371777

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole (CID 22326155) is 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole is Clc1cc(Cl)cc(-c2[nH]ncc2Cl)c1.
What is the InChIKey of 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole?
The InChIKey is GNZJYPDFBXXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2/c10-6-1-5(2-7(11)3-6)9-8(12)4-13-14-9/h1-4H,(H,13,14).
What are the key properties of 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole?
4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole has a molecular weight of 247.51 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,5-dichlorophenyl)-1H-pyrazole is sourced from PubChem (CID 22326155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).