N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C16H20F3N5O2 — CID 155953532

IUPACN-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(C2CCCOC2)nn1C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H20F3N5O2/c1-10(24-6-5-13(22-24)16(17,18)19)15(25)20-14-8-12(21-23(14)2)11-4-3-7-26-9-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,20,25)
InChIKeyURSZPLMLVLAPMO-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.73
Rot. Bonds4

About N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155953532) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155953532
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC NameN-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(C2CCCOC2)nn1C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H20F3N5O2/c1-10(24-6-5-13(22-24)16(17,18)19)15(25)20-14-8-12(21-23(14)2)11-4-3-7-26-9-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,20,25)
InChIKeyURSZPLMLVLAPMO-UHFFFAOYSA-N
XLogP2.73
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155953532) is N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1cc(C2CCCOC2)nn1C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is URSZPLMLVLAPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-10(24-6-5-13(22-24)16(17,18)19)15(25)20-14-8-12(21-23(14)2)11-4-3-7-26-9-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,20,25).
What are the key properties of N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 371.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155953532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).