4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole

C13H9F3N4 — CID 175799310

IUPAC4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)12-11(8-17-19-12)9-2-4-10(5-3-9)20-7-1-6-18-20/h1-8H,(H,17,19)
InChIKeyUASDNCFIOVWYCU-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.28
Rot. Bonds2

About 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole

4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 175799310) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID175799310
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)12-11(8-17-19-12)9-2-4-10(5-3-9)20-7-1-6-18-20/h1-8H,(H,17,19)
InChIKeyUASDNCFIOVWYCU-UHFFFAOYSA-N
XLogP3.28
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]acetonitrile
CID 143374083
4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole
CID 71735706
1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
CID 142384034
1-(4-bromophenyl)pyrazole
CID 10443564
1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
CID 90924211
2-fluoro-5-pyrazol-1-ylpyridine
CID 141212781
1-(4-pyrazol-1-ylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712652
4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117325187
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364
N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
CID 46842664
4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole
CID 158761496
4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 78885226

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 175799310) is 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1-c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is UASDNCFIOVWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)12-11(8-17-19-12)9-2-4-10(5-3-9)20-7-1-6-18-20/h1-8H,(H,17,19).
What are the key properties of 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 278.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 175799310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).