3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide

C19H17F3N4O2 — CID 42519424

IUPAC3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
SMILESO=C(CCc1cn[nH]c1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)15-4-1-5-16(9-15)28-18-14(3-2-8-23-18)12-24-17(27)7-6-13-10-25-26-11-13/h1-5,8-11H,6-7,12H2,(H,24,27)(H,25,26)
InChIKeyPEGHNBJSQLTOME-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.86
Rot. Bonds7

About 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide

3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide (PubChem CID 42519424) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
PubChem CID42519424
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
SMILESO=C(CCc1cn[nH]c1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)15-4-1-5-16(9-15)28-18-14(3-2-8-23-18)12-24-17(27)7-6-13-10-25-26-11-13/h1-5,8-11H,6-7,12H2,(H,24,27)(H,25,26)
InChIKeyPEGHNBJSQLTOME-UHFFFAOYSA-N
XLogP3.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 42291769
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 56748506
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 56751667
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774
N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42528467

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide (CID 42519424) is 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide is O=C(CCc1cn[nH]c1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide?
The InChIKey is PEGHNBJSQLTOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)15-4-1-5-16(9-15)28-18-14(3-2-8-23-18)12-24-17(27)7-6-13-10-25-26-11-13/h1-5,8-11H,6-7,12H2,(H,24,27)(H,25,26).
What are the key properties of 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide?
3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide has a molecular weight of 390.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 42519424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).