2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile

C18H14F2N4O2 — CID 58806626

IUPAC2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCC#N)cc2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-25-17-7-4-13(11-22-17)24-16(10-15(23-24)18(19)20)12-2-5-14(6-3-12)26-9-8-21/h2-7,10-11,18H,9H2,1H3
InChIKeyCFIJABFSHZGDMZ-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.78
Rot. Bonds6

About 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile

2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile (PubChem CID 58806626) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile
PubChem CID58806626
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCC#N)cc2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-25-17-7-4-13(11-22-17)24-16(10-15(23-24)18(19)20)12-2-5-14(6-3-12)26-9-8-21/h2-7,10-11,18H,9H2,1H3
InChIKeyCFIJABFSHZGDMZ-UHFFFAOYSA-N
XLogP3.78
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine
CID 154339032
N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091079
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-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol;hydrochloride
CID 159291199
2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 21091017
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate
CID 91234816
[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-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile (CID 58806626) is 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCC#N)cc2)cn1.
What is the InChIKey of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile?
The InChIKey is CFIJABFSHZGDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-25-17-7-4-13(11-22-17)24-16(10-15(23-24)18(19)20)12-2-5-14(6-3-12)26-9-8-21/h2-7,10-11,18H,9H2,1H3.
What are the key properties of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile?
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile has a molecular weight of 356.33 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile is sourced from PubChem (CID 58806626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).