5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole

C19H14F2N4 — CID 12640729

IUPAC5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole
SMILESFC(F)(c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H14F2N4/c20-19(21,17-11-15(22-24-17)13-7-3-1-4-8-13)18-12-16(23-25-18)14-9-5-2-6-10-14/h1-12H,(H,22,24)(H,23,25)
InChIKeyPZZQZFJOGHMBQF-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.61
Rot. Bonds4

About 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole

5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole (PubChem CID 12640729) has the molecular formula C19H14F2N4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole
PubChem CID12640729
Molecular FormulaC19H14F2N4
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole
SMILESFC(F)(c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H14F2N4/c20-19(21,17-11-15(22-24-17)13-7-3-1-4-8-13)18-12-16(23-25-18)14-9-5-2-6-10-14/h1-12H,(H,22,24)(H,23,25)
InChIKeyPZZQZFJOGHMBQF-UHFFFAOYSA-N
XLogP4.61
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
Celecoxib N-des(benzenesulfonamide)
CID 4166967
3-Benzyl-5-phenyl-1H-pyrazole
CID 283965
3-Phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 611322
2-(3-Phenyl-1H-pyrazol-5-YL)aniline
CID 54852070
2-(5-phenyl-1H-pyrazol-3-yl)acetonitrile
CID 902140
6-Fluoro-3-phenyl-1H-indazole
CID 164611597

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole?
The IUPAC name of 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole (CID 12640729) is 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole is FC(F)(c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole?
The InChIKey is PZZQZFJOGHMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4/c20-19(21,17-11-15(22-24-17)13-7-3-1-4-8-13)18-12-16(23-25-18)14-9-5-2-6-10-14/h1-12H,(H,22,24)(H,23,25).
What are the key properties of 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole?
5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole has a molecular weight of 336.35 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole is sourced from PubChem (CID 12640729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).