4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole

C9H4Cl3FN2 — CID 67683191

IUPAC4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole
SMILESFc1c(Cl)cc(-c2[nH]ncc2Cl)cc1Cl
InChIInChI=1S/C9H4Cl3FN2/c10-5-1-4(2-6(11)8(5)13)9-7(12)3-14-15-9/h1-3H,(H,14,15)
InChIKeyBLALRQDWEZFWDM-UHFFFAOYSA-N
MW265.50 g/mol
LogP4.18
Rot. Bonds1

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

4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole (PubChem CID 67683191) has the molecular formula C9H4Cl3FN2 and a molecular weight of 265.50 g/mol. Its IUPAC name is 4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole
PubChem CID67683191
Molecular FormulaC9H4Cl3FN2
Molecular Weight265.50 g/mol
Exact Mass263.94
IUPAC Name4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole
SMILESFc1c(Cl)cc(-c2[nH]ncc2Cl)cc1Cl
InChIInChI=1S/C9H4Cl3FN2/c10-5-1-4(2-6(11)8(5)13)9-7(12)3-14-15-9/h1-3H,(H,14,15)
InChIKeyBLALRQDWEZFWDM-UHFFFAOYSA-N
XLogP4.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1H-pyrazole
CID 714291
4-(2-chlorophenyl)-3-methyl-1H-pyrazole
CID 2805460
3-(2,6-Dichlorostyryl)-1H-Pyrazole
CID 5713978
3-(4-Fluorophenyl)-1H-pyrazole
CID 688691
3-(3-fluorophenyl)-1H-pyrazole
CID 2774736
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
5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole
CID 2805452
4-Chloro-3-phenyl-1H-pyrazole
CID 14245089
4-bromo-3-(4-chlorophenyl)-1H-pyrazole
CID 22031839

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole (CID 67683191) is 4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole is Fc1c(Cl)cc(-c2[nH]ncc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole?
The InChIKey is BLALRQDWEZFWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3FN2/c10-5-1-4(2-6(11)8(5)13)9-7(12)3-14-15-9/h1-3H,(H,14,15).
What are the key properties of 4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole?
4-chloro-5-(3,5-dichloro-4-fluorophenyl)-1H-pyrazole has a molecular weight of 265.50 g/mol, XLogP of 4.18, 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-dichloro-4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 67683191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).