3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole

C16H12F2N2 — CID 19587640

IUPAC3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
SMILESCc1c(-c2ccc(F)cc2)n[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2/c1-10-15(11-2-6-13(17)7-3-11)19-20-16(10)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,19,20)
InChIKeyCOAFAPZNHYXAHD-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.33
Rot. Bonds2

About 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole

3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole (PubChem CID 19587640) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
PubChem CID19587640
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
SMILESCc1c(-c2ccc(F)cc2)n[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2/c1-10-15(11-2-6-13(17)7-3-11)19-20-16(10)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,19,20)
InChIKeyCOAFAPZNHYXAHD-UHFFFAOYSA-N
XLogP4.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83848218
5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane
CID 145448857
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole
CID 118529653
2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione
CID 134440531
3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole
CID 69003526
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118
5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one
CID 165373244
2-(4-fluorophenyl)-3,4,5,6-tetramethylpyridine
CID 162298886
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 7306255
5-(4-fluorophenyl)-4-methoxy-1H-pyrazol-3-amine
CID 134439842
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole?
The IUPAC name of 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole (CID 19587640) is 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole is Cc1c(-c2ccc(F)cc2)n[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole?
The InChIKey is COAFAPZNHYXAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c1-10-15(11-2-6-13(17)7-3-11)19-20-16(10)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,19,20).
What are the key properties of 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole?
3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole has a molecular weight of 270.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 19587640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).