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

C9H6ClFN2 — CID 55283047

IUPAC5-(4-chloro-3-fluorophenyl)-1H-pyrazole
SMILESFc1cc(-c2ccn[nH]2)ccc1Cl
InChIInChI=1S/C9H6ClFN2/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKeyAPAVURNMBHMJQI-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.87
Rot. Bonds1

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

5-(4-chloro-3-fluorophenyl)-1H-pyrazole (PubChem CID 55283047) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-1H-pyrazole
PubChem CID55283047
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name5-(4-chloro-3-fluorophenyl)-1H-pyrazole
SMILESFc1cc(-c2ccn[nH]2)ccc1Cl
InChIInChI=1S/C9H6ClFN2/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKeyAPAVURNMBHMJQI-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(4-chloro-3-fluorophenyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-1H-1,2,3-triazole
CID 601577
3-(4-chlorophenyl)-1H-pyrazole
CID 714291
1H-Indazole, 5-chloro-
CID 69681
3-phenyl-1H-pyrazole
CID 17155
4-Chloro-1H-indazole
CID 393037
6-chloro-1H-indazole
CID 417524
3-Amino-5-(4-chlorophenyl)pyrazole
CID 2735305
4-(2-chlorophenyl)-3-methyl-1H-pyrazole
CID 2805460
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 800359
3-(2,6-Dichlorostyryl)-1H-Pyrazole
CID 5713978
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-1H-pyrazole (CID 55283047) is 5-(4-chloro-3-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-1H-pyrazole is Fc1cc(-c2ccn[nH]2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-1H-pyrazole?
The InChIKey is APAVURNMBHMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-1H-pyrazole?
5-(4-chloro-3-fluorophenyl)-1H-pyrazole has a molecular weight of 196.61 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 55283047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).