5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole

C19H15F3N4 — CID 175581011

IUPAC5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole
SMILESFc1cc(C(F)F)[nH]n1.c1ccc(-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C15H12N2.C4H3F3N2/c1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;5-3-1-2(4(6)7)8-9-3/h1-12H;1,4H,(H,8,9)
InChIKeyHTTBCAGBVKTDBG-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.03
Rot. Bonds3

About 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole

5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole (PubChem CID 175581011) has the molecular formula C19H15F3N4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole
PubChem CID175581011
Molecular FormulaC19H15F3N4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole
SMILESFc1cc(C(F)F)[nH]n1.c1ccc(-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C15H12N2.C4H3F3N2/c1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;5-3-1-2(4(6)7)8-9-3/h1-12H;1,4H,(H,8,9)
InChIKeyHTTBCAGBVKTDBG-UHFFFAOYSA-N
XLogP5.03
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
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CID 63370517
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
CID 143877743
3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline
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1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine
CID 82539980
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
[5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine
CID 62771688
3-(1-phenylpyrazol-4-yl)-1H-indole
CID 70687777
2-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403214

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole (CID 175581011) is 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole is Fc1cc(C(F)F)[nH]n1.c1ccc(-c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole?
The InChIKey is HTTBCAGBVKTDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2.C4H3F3N2/c1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;5-3-1-2(4(6)7)8-9-3/h1-12H;1,4H,(H,8,9).
What are the key properties of 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole?
5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole has a molecular weight of 356.35 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole is sourced from PubChem (CID 175581011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).