4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole

C18H16ClFN2 — CID 141270000

IUPAC4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole
SMILESCCCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C18H16ClFN2/c1-2-7-15-16(13-10-6-11-14(19)17(13)20)18(22-21-15)12-8-4-3-5-9-12/h3-6,8-11H,2,7H2,1H3,(H,21,22)
InChIKeyPGLHKLUKYFPYOG-UHFFFAOYSA-N
MW314.79 g/mol
LogP5.49
Rot. Bonds4

About 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole

4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole (PubChem CID 141270000) has the molecular formula C18H16ClFN2 and a molecular weight of 314.79 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole
PubChem CID141270000
Molecular FormulaC18H16ClFN2
Molecular Weight314.79 g/mol
Exact Mass314.10
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole
SMILESCCCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C18H16ClFN2/c1-2-7-15-16(13-10-6-11-14(19)17(13)20)18(22-21-15)12-8-4-3-5-9-12/h3-6,8-11H,2,7H2,1H3,(H,21,22)
InChIKeyPGLHKLUKYFPYOG-UHFFFAOYSA-N
XLogP5.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.79
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole (CID 141270000) is 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole is CCCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole?
The InChIKey is PGLHKLUKYFPYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2/c1-2-7-15-16(13-10-6-11-14(19)17(13)20)18(22-21-15)12-8-4-3-5-9-12/h3-6,8-11H,2,7H2,1H3,(H,21,22).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole?
4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole has a molecular weight of 314.79 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole is sourced from PubChem (CID 141270000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).