1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole

C16H10ClF3N2 — CID 101073721

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole
SMILESFC(F)(F)c1ccc(Cl)c(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C16H10ClF3N2/c17-13-7-6-12(16(18,19)20)10-15(13)22-14(8-9-21-22)11-4-2-1-3-5-11/h1-10H
InChIKeyHDIDJSKATMGCSW-UHFFFAOYSA-N
MW322.72 g/mol
LogP5.21
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole

1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole (PubChem CID 101073721) has the molecular formula C16H10ClF3N2 and a molecular weight of 322.72 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole
PubChem CID101073721
Molecular FormulaC16H10ClF3N2
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole
SMILESFC(F)(F)c1ccc(Cl)c(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C16H10ClF3N2/c17-13-7-6-12(16(18,19)20)10-15(13)22-14(8-9-21-22)11-4-2-1-3-5-11/h1-10H
InChIKeyHDIDJSKATMGCSW-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.72
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
CID 101073728
1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole
CID 159868733
5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole
CID 141164289
1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine
CID 79506304
2-[3-[2-chloro-5-(trifluoromethyl)phenyl]triazol-4-yl]acetic acid
CID 43671539
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4010286
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-iodophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5104450
2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine
CID 56956121
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5097130
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 2036733
2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
CID 107330966
3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride
CID 24845750

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole (CID 101073721) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole is FC(F)(F)c1ccc(Cl)c(-n2nccc2-c2ccccc2)c1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole?
The InChIKey is HDIDJSKATMGCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2/c17-13-7-6-12(16(18,19)20)10-15(13)22-14(8-9-21-22)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole?
1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole has a molecular weight of 322.72 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole is sourced from PubChem (CID 101073721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).