4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine

C24H17F2N5 — CID 166490768

IUPAC4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine
SMILESCc1[nH]nc(-c2ccncc2)c1-c1cc(F)c(-c2cccc(-n3cccn3)c2)c(F)c1
InChIInChI=1S/C24H17F2N5/c1-15-22(24(30-29-15)16-6-9-27-10-7-16)18-13-20(25)23(21(26)14-18)17-4-2-5-19(12-17)31-11-3-8-28-31/h2-14H,1H3,(H,29,30)
InChIKeyNCWSZGKLYPFCEW-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.58
Rot. Bonds4

About 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine

4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine (PubChem CID 166490768) has the molecular formula C24H17F2N5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine
PubChem CID166490768
Molecular FormulaC24H17F2N5
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC Name4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine
SMILESCc1[nH]nc(-c2ccncc2)c1-c1cc(F)c(-c2cccc(-n3cccn3)c2)c(F)c1
InChIInChI=1S/C24H17F2N5/c1-15-22(24(30-29-15)16-6-9-27-10-7-16)18-13-20(25)23(21(26)14-18)17-4-2-5-19(12-17)31-11-3-8-28-31/h2-14H,1H3,(H,29,30)
InChIKeyNCWSZGKLYPFCEW-UHFFFAOYSA-N
XLogP5.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenol
CID 22953773
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037187
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037254
4-[3-(3-ethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037470
3-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490724
4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine
CID 168923687
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide
CID 166490576
2-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenol
CID 135677569
4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037265
1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
CID 22063821
5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 166490637

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine (CID 166490768) is 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine is Cc1[nH]nc(-c2ccncc2)c1-c1cc(F)c(-c2cccc(-n3cccn3)c2)c(F)c1.
What is the InChIKey of 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine?
The InChIKey is NCWSZGKLYPFCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5/c1-15-22(24(30-29-15)16-6-9-27-10-7-16)18-13-20(25)23(21(26)14-18)17-4-2-5-19(12-17)31-11-3-8-28-31/h2-14H,1H3,(H,29,30).
What are the key properties of 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine?
4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine has a molecular weight of 413.43 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 166490768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).