N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C13H13F3N4O — CID 45147775

IUPACN-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NCc1cccnc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-9(20-6-4-11(19-20)13(14,15)16)12(21)18-8-10-3-2-5-17-7-10/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyIXHVRMMOEFIBBR-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.17
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 45147775) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID45147775
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NCc1cccnc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-9(20-6-4-11(19-20)13(14,15)16)12(21)18-8-10-3-2-5-17-7-10/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyIXHVRMMOEFIBBR-UHFFFAOYSA-N
XLogP2.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-amino-3-methyl-N-(pyridin-3-ylmethyl)pentanamide;2,2,2-trifluoroacetic acid
CID 22068505
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 11939645
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136557445
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 45147775) is N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)NCc1cccnc1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is IXHVRMMOEFIBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-9(20-6-4-11(19-20)13(14,15)16)12(21)18-8-10-3-2-5-17-7-10/h2-7,9H,8H2,1H3,(H,18,21).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 298.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 45147775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).