4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole

C20H17FN4 — CID 146165854

IUPAC4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN4/c1-14-20(15(2)25(23-14)19-6-4-3-5-7-19)16-12-22-24(13-16)18-10-8-17(21)9-11-18/h3-13H,1-2H3
InChIKeyIWAJBLCKPNBZAG-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.48
Rot. Bonds3

About 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole

4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole (PubChem CID 146165854) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole
PubChem CID146165854
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN4/c1-14-20(15(2)25(23-14)19-6-4-3-5-7-19)16-12-22-24(13-16)18-10-8-17(21)9-11-18/h3-13H,1-2H3
InChIKeyIWAJBLCKPNBZAG-UHFFFAOYSA-N
XLogP4.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
Fezolamine
CID 54567
1-Phenyl-1H-indazole
CID 304268
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894324

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole?
The IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole (CID 146165854) is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole.
What is the SMILES notation for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole?
The canonical SMILES for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(C)c1-c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole?
The InChIKey is IWAJBLCKPNBZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c1-14-20(15(2)25(23-14)19-6-4-3-5-7-19)16-12-22-24(13-16)18-10-8-17(21)9-11-18/h3-13H,1-2H3.
What are the key properties of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole?
4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole has a molecular weight of 332.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole is sourced from PubChem (CID 146165854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).