N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

C19H15F5N4O2 — CID 126740598

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(OCC(F)(F)F)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H15F5N4O2/c20-14-3-1-13(7-15(14)21)10-28-6-5-16(27-28)26-17(29)8-12-2-4-18(25-9-12)30-11-19(22,23)24/h1-7,9H,8,10-11H2,(H,26,27,29)
InChIKeyJQAPPDSVWXLUJA-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.73
Rot. Bonds7

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (PubChem CID 126740598) has the molecular formula C19H15F5N4O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
PubChem CID126740598
Molecular FormulaC19H15F5N4O2
Molecular Weight426.35 g/mol
Exact Mass426.11
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(OCC(F)(F)F)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H15F5N4O2/c20-14-3-1-13(7-15(14)21)10-28-6-5-16(27-28)26-17(29)8-12-2-4-18(25-9-12)30-11-19(22,23)24/h1-7,9H,8,10-11H2,(H,26,27,29)
InChIKeyJQAPPDSVWXLUJA-UHFFFAOYSA-N
XLogP3.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(oxetan-3-yloxy)phenyl]acetamide
CID 118560543
2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560613
N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[3-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740608
N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide
CID 126740618
N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740626
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]acetamide
CID 126740697
1-(2-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134588919
4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 68594586
US11098060, Example 12
CID 137548209
US11098060, Example 2
CID 137548236
US11098060, Example 21
CID 137548340
US11098060, Example 35
CID 154966403

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (CID 126740598) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is O=C(Cc1ccc(OCC(F)(F)F)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The InChIKey is JQAPPDSVWXLUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O2/c20-14-3-1-13(7-15(14)21)10-28-6-5-16(27-28)26-17(29)8-12-2-4-18(25-9-12)30-11-19(22,23)24/h1-7,9H,8,10-11H2,(H,26,27,29).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide has a molecular weight of 426.35 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 126740598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).