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

C9H5Cl3N2 — CID 117063020

IUPAC4-chloro-1-(3,5-dichlorophenyl)pyrazole
SMILESClc1cc(Cl)cc(-n2cc(Cl)cn2)c1
InChIInChI=1S/C9H5Cl3N2/c10-6-1-7(11)3-9(2-6)14-5-8(12)4-13-14/h1-5H
InChIKeyKMQGQTSOVBPIMN-UHFFFAOYSA-N
MW247.51 g/mol
LogP3.83
Rot. Bonds1

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

4-chloro-1-(3,5-dichlorophenyl)pyrazole (PubChem CID 117063020) has the molecular formula C9H5Cl3N2 and a molecular weight of 247.51 g/mol. Its IUPAC name is 4-chloro-1-(3,5-dichlorophenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(3,5-dichlorophenyl)pyrazole
PubChem CID117063020
Molecular FormulaC9H5Cl3N2
Molecular Weight247.51 g/mol
Exact Mass245.95
IUPAC Name4-chloro-1-(3,5-dichlorophenyl)pyrazole
SMILESClc1cc(Cl)cc(-n2cc(Cl)cn2)c1
InChIInChI=1S/C9H5Cl3N2/c10-6-1-7(11)3-9(2-6)14-5-8(12)4-13-14/h1-5H
InChIKeyKMQGQTSOVBPIMN-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(4-chloropyrazol-1-yl)benzoic acid
CID 102823510
4-(4-chloropyrazol-1-yl)benzaldehyde
CID 61034878
[3-(4-chloropyrazol-1-yl)phenyl]boronic acid
CID 163342886
5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
CID 84688788
3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol
CID 106530074
4-chloro-1-(4-nitrophenyl)pyrazole
CID 23036556
1-[3-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 79168154
N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170
2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid
CID 107282391
(1S)-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanamine
CID 78937576
4-(4-chloropyrazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 165472017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,5-dichlorophenyl)pyrazole?
The IUPAC name of 4-chloro-1-(3,5-dichlorophenyl)pyrazole (CID 117063020) is 4-chloro-1-(3,5-dichlorophenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-(3,5-dichlorophenyl)pyrazole?
The canonical SMILES for 4-chloro-1-(3,5-dichlorophenyl)pyrazole is Clc1cc(Cl)cc(-n2cc(Cl)cn2)c1.
What is the InChIKey of 4-chloro-1-(3,5-dichlorophenyl)pyrazole?
The InChIKey is KMQGQTSOVBPIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2/c10-6-1-7(11)3-9(2-6)14-5-8(12)4-13-14/h1-5H.
What are the key properties of 4-chloro-1-(3,5-dichlorophenyl)pyrazole?
4-chloro-1-(3,5-dichlorophenyl)pyrazole has a molecular weight of 247.51 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,5-dichlorophenyl)pyrazole is sourced from PubChem (CID 117063020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).