N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C9H9F6N3O — CID 103310310

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-2-4-3-16-18-6(4)17-7(19)5(8(10,11)12)9(13,14)15/h3,5H,2H2,1H3,(H2,16,17,18,19)
InChIKeyVSWUMUNGUCOPQF-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.65
Rot. Bonds3

About N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310310) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310310
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-2-4-3-16-18-6(4)17-7(19)5(8(10,11)12)9(13,14)15/h3,5H,2H2,1H3,(H2,16,17,18,19)
InChIKeyVSWUMUNGUCOPQF-UHFFFAOYSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 164642746
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79503749
N-(4-carbamothioyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79503980
N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504492
3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 103209305
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309877
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309924
3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide
CID 103310309
2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 103514076
N-(4-ethyl-1H-pyrazol-5-yl)-2,2-difluoroacetamide
CID 103514077
2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 103733843
N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103944434

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310310) is N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CCc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is VSWUMUNGUCOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-2-4-3-16-18-6(4)17-7(19)5(8(10,11)12)9(13,14)15/h3,5H,2H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 289.18 g/mol, XLogP of 2.65, 3 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)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).