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

C12H16F3N3O2 — CID 71810259

IUPAC4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)4-1-11(19)17-9-7-16-18(8-9)10-2-5-20-6-3-10/h7-8,10H,1-6H2,(H,17,19)
InChIKeyOUESGVCKZFHGFZ-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.52
Rot. Bonds4

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

4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide (PubChem CID 71810259) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide
PubChem CID71810259
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)4-1-11(19)17-9-7-16-18(8-9)10-2-5-20-6-3-10/h7-8,10H,1-6H2,(H,17,19)
InChIKeyOUESGVCKZFHGFZ-UHFFFAOYSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 75505806
N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide
CID 136513566
1-(Tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-amine
CID 51063703
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 60323983
1-(2,2-difluoroethyl)-N-(oxan-4-yl)pyrazol-4-amine
CID 115777614
N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 151933544
N-(3,3-dimethyloxan-4-yl)-1-methylpyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225124
1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225178
1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine
CID 155225179
N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225320

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide (CID 71810259) is 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide is O=C(CCC(F)(F)F)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide?
The InChIKey is OUESGVCKZFHGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)4-1-11(19)17-9-7-16-18(8-9)10-2-5-20-6-3-10/h7-8,10H,1-6H2,(H,17,19).
What are the key properties of 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide?
4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide has a molecular weight of 291.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 71810259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).