2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide

C10H12F3N3O2 — CID 90597743

IUPAC2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)15-7-5-14-16(6-7)8-1-3-18-4-2-8/h5-6,8H,1-4H2,(H,15,17)
InChIKeyQOVXJFDUVAEZBG-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.74
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide

2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide (PubChem CID 90597743) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
PubChem CID90597743
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)15-7-5-14-16(6-7)8-1-3-18-4-2-8/h5-6,8H,1-4H2,(H,15,17)
InChIKeyQOVXJFDUVAEZBG-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
(E)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-4-oxobut-2-enoic acid
CID 122172610
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
[1-(oxan-4-yl)pyrazol-4-yl]thiourea
CID 145069012
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
CID 71810228
1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 71810282
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide (CID 90597743) is 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide is O=C(Nc1cnn(C2CCOCC2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is QOVXJFDUVAEZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)15-7-5-14-16(6-7)8-1-3-18-4-2-8/h5-6,8H,1-4H2,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 263.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 90597743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).