5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine

C17H15F2N3O2 — CID 154339032

IUPAC5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(OC)nc2)cc1
InChIInChI=1S/C17H15F2N3O2/c1-23-13-6-4-12(5-7-13)22-15(9-14(21-22)17(18)19)11-3-8-16(24-2)20-10-11/h3-10,17H,1-2H3
InChIKeyRPIZTIGXTYDJPQ-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.89
Rot. Bonds5

About 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine

5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine (PubChem CID 154339032) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine
PubChem CID154339032
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(OC)nc2)cc1
InChIInChI=1S/C17H15F2N3O2/c1-23-13-6-4-12(5-7-13)22-15(9-14(21-22)17(18)19)11-3-8-16(24-2)20-10-11/h3-10,17H,1-2H3
InChIKeyRPIZTIGXTYDJPQ-UHFFFAOYSA-N
XLogP3.89
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
CID 58806821
4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol
CID 135990947
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile
CID 58806626
N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091079
2-[2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethyl]isoindole-1,3-dione
CID 21090702
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylphenyl)pyrazole
CID 143036335
2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine
CID 154177113
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
CID 21090936
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[3-(2,2-difluoroethoxy)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanamine;dihydrochloride
CID 21090765
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine (CID 154339032) is 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(OC)nc2)cc1.
What is the InChIKey of 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine?
The InChIKey is RPIZTIGXTYDJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-23-13-6-4-12(5-7-13)22-15(9-14(21-22)17(18)19)11-3-8-16(24-2)20-10-11/h3-10,17H,1-2H3.
What are the key properties of 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine?
5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine has a molecular weight of 331.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine is sourced from PubChem (CID 154339032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).