4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol

C16H13F2N3O2 — CID 135990947

IUPAC4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(O)cc2)cn1
InChIInChI=1S/C16H13F2N3O2/c1-23-15-7-4-11(9-19-15)21-14(8-13(20-21)16(17)18)10-2-5-12(22)6-3-10/h2-9,16,22H,1H3
InChIKeyOPVZMZOOEQVZPU-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.59
Rot. Bonds4

About 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol

4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol (PubChem CID 135990947) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol
PubChem CID135990947
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(O)cc2)cn1
InChIInChI=1S/C16H13F2N3O2/c1-23-15-7-4-11(9-19-15)21-14(8-13(20-21)16(17)18)10-2-5-12(22)6-3-10/h2-9,16,22H,1H3
InChIKeyOPVZMZOOEQVZPU-UHFFFAOYSA-N
XLogP3.59
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
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
5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine
CID 154339032
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
[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate
CID 91346211
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
[4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate
CID 174283623
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate
CID 91234816
2-[4-[3-(2,2-difluoroethoxy)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanamine;dihydrochloride
CID 21090765
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol;hydrochloride
CID 159291199
5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylphenyl)pyrazole
CID 143036335
1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine
CID 86711514

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol?
The IUPAC name of 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol (CID 135990947) is 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol?
The InChIKey is OPVZMZOOEQVZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-23-15-7-4-11(9-19-15)21-14(8-13(20-21)16(17)18)10-2-5-12(22)6-3-10/h2-9,16,22H,1H3.
What are the key properties of 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol?
4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol has a molecular weight of 317.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 135990947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).