5-(2-chlorophenyl)-4-fluoro-1H-pyrazole

C9H6ClFN2 — CID 86052927

IUPAC5-(2-chlorophenyl)-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C9H6ClFN2/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9/h1-5H,(H,12,13)
InChIKeyBKPHGLLLLUJHGW-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.87
Rot. Bonds1

About 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole

5-(2-chlorophenyl)-4-fluoro-1H-pyrazole (PubChem CID 86052927) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-fluoro-1H-pyrazole
PubChem CID86052927
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name5-(2-chlorophenyl)-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C9H6ClFN2/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9/h1-5H,(H,12,13)
InChIKeyBKPHGLLLLUJHGW-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

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Related Compounds

3-(4-chlorophenyl)-1H-pyrazole
CID 714291
3-phenyl-1H-pyrazole
CID 17155
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
4-Chloro-1H-indazole
CID 393037
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
3-(4-Fluorophenyl)-1H-pyrazole
CID 688691
3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 732508
4-(4-Fluorophenyl)-3-Methyl-1h-Pyrazole
CID 67563593
4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 2773627
3-(3-fluorophenyl)-1H-pyrazole
CID 2774736

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole?
The IUPAC name of 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole (CID 86052927) is 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole?
The canonical SMILES for 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole is Fc1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole?
The InChIKey is BKPHGLLLLUJHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9/h1-5H,(H,12,13).
What are the key properties of 5-(2-chlorophenyl)-4-fluoro-1H-pyrazole?
5-(2-chlorophenyl)-4-fluoro-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-(2-chlorophenyl)-4-fluoro-1H-pyrazole is sourced from PubChem (CID 86052927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).