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

C10H5ClF4N2 — CID 21071142

IUPAC4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFc1cccc(-c2n[nH]c(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C10H5ClF4N2/c11-7-8(5-2-1-3-6(12)4-5)16-17-9(7)10(13,14)15/h1-4H,(H,16,17)
InChIKeyNHUXQXHAFIITQR-UHFFFAOYSA-N
MW264.61 g/mol
LogP3.89
Rot. Bonds1

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

4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 21071142) has the molecular formula C10H5ClF4N2 and a molecular weight of 264.61 g/mol. Its IUPAC name is 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID21071142
Molecular FormulaC10H5ClF4N2
Molecular Weight264.61 g/mol
Exact Mass264.01
IUPAC Name4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFc1cccc(-c2n[nH]c(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C10H5ClF4N2/c11-7-8(5-2-1-3-6(12)4-5)16-17-9(7)10(13,14)15/h1-4H,(H,16,17)
InChIKeyNHUXQXHAFIITQR-UHFFFAOYSA-N
XLogP3.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.61
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 21071142) is 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole is Fc1cccc(-c2n[nH]c(C(F)(F)F)c2Cl)c1.
What is the InChIKey of 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NHUXQXHAFIITQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF4N2/c11-7-8(5-2-1-3-6(12)4-5)16-17-9(7)10(13,14)15/h1-4H,(H,16,17).
What are the key properties of 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 264.61 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 21071142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).