N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide

C9H12F3N3O — CID 115692323

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
SMILESCCc1cn[nH]c1NC(=O)CCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-2-6-5-13-15-8(6)14-7(16)3-4-9(10,11)12/h5H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyBSOMPVHQYHYXFB-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.25
Rot. Bonds4

About N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide

N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide (PubChem CID 115692323) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
PubChem CID115692323
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
SMILESCCc1cn[nH]c1NC(=O)CCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-2-6-5-13-15-8(6)14-7(16)3-4-9(10,11)12/h5H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyBSOMPVHQYHYXFB-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide (CID 115692323) is N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide is CCc1cn[nH]c1NC(=O)CCC(F)(F)F.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide?
The InChIKey is BSOMPVHQYHYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-6-5-13-15-8(6)14-7(16)3-4-9(10,11)12/h5H,2-4H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide?
N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide has a molecular weight of 235.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 115692323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).