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

C19H15F2N5O — CID 134329156

IUPAC4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine
SMILESCn1cc(-c2cc(-c3c(F)cc(OCc4ccncc4)cc3F)[nH]n2)cn1
InChIInChI=1S/C19H15F2N5O/c1-26-10-13(9-23-26)17-8-18(25-24-17)19-15(20)6-14(7-16(19)21)27-11-12-2-4-22-5-3-12/h2-10H,11H2,1H3,(H,24,25)
InChIKeyKKJKBDYGVYNPNH-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.73
Rot. Bonds5

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

4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine (PubChem CID 134329156) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine
PubChem CID134329156
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine
SMILESCn1cc(-c2cc(-c3c(F)cc(OCc4ccncc4)cc3F)[nH]n2)cn1
InChIInChI=1S/C19H15F2N5O/c1-26-10-13(9-23-26)17-8-18(25-24-17)19-15(20)6-14(7-16(19)21)27-11-12-2-4-22-5-3-12/h2-10H,11H2,1H3,(H,24,25)
InChIKeyKKJKBDYGVYNPNH-UHFFFAOYSA-N
XLogP3.73
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
Pyrazole, 19
CID 44234930
3-[(1r)-1-[5-Fluoranyl-2-(1,2,3-Triazol-2-Yl)phenyl]ethoxy]-5-(3-Methyl-1h-Pyrazol-4-Yl)pyridin-2-Amine
CID 67462112
3-Cyclobutyl-7-([5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10021441
Jnj-42259152
CID 51353528
1H-Pyrazolo[4,3-c]pyridine, 4-(cyclohexyloxy)-3-[(1E)-2-(1-Methyl-1H-pyrazol-4-yl)ethenyl]-
CID 56943105
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
6-Amino-3-(4-ethoxyphenyl)-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 664707

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine?
The IUPAC name of 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine (CID 134329156) is 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine is Cn1cc(-c2cc(-c3c(F)cc(OCc4ccncc4)cc3F)[nH]n2)cn1.
What is the InChIKey of 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine?
The InChIKey is KKJKBDYGVYNPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-26-10-13(9-23-26)17-8-18(25-24-17)19-15(20)6-14(7-16(19)21)27-11-12-2-4-22-5-3-12/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine?
4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine has a molecular weight of 367.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine is sourced from PubChem (CID 134329156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).