N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide

C19H17F3N4O2 — CID 90465277

IUPACN-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(-c2cn(CC(F)F)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H17F3N4O2/c1-28-11-18(27)24-17-8-13(6-7-23-17)15-9-26(10-16(21)22)25-19(15)12-2-4-14(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,23,24,27)
InChIKeyIWODZUHZWOAMST-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.60
Rot. Bonds7

About N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide

N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 90465277) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
PubChem CID90465277
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(-c2cn(CC(F)F)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H17F3N4O2/c1-28-11-18(27)24-17-8-13(6-7-23-17)15-9-26(10-16(21)22)25-19(15)12-2-4-14(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,23,24,27)
InChIKeyIWODZUHZWOAMST-UHFFFAOYSA-N
XLogP3.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465334
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67107014
N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465171
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465219
3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 90465355
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465344
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67242843
N-[4-[3-(3-cyano-4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465098
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465352

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (CID 90465277) is N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cc(-c2cn(CC(F)F)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The InChIKey is IWODZUHZWOAMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-28-11-18(27)24-17-8-13(6-7-23-17)15-9-26(10-16(21)22)25-19(15)12-2-4-14(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,23,24,27).
What are the key properties of N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 390.37 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 90465277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).