N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide

C8H10F3N3O — CID 115692392

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
SMILESCCc1cn[nH]c1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-5-4-12-14-7(5)13-6(15)3-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyHSDOCINHBPKBCJ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.86
Rot. Bonds3

About N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide

N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide (PubChem CID 115692392) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
PubChem CID115692392
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
SMILESCCc1cn[nH]c1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-5-4-12-14-7(5)13-6(15)3-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyHSDOCINHBPKBCJ-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 137234045
(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 164642746
2,3,3-trifluoro-2-methyl-N-(1H-pyrazol-5-yl)propanamide
CID 173552076
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
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79504531
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
N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310310

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide (CID 115692392) is N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide is CCc1cn[nH]c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide?
The InChIKey is HSDOCINHBPKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-5-4-12-14-7(5)13-6(15)3-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide?
N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide has a molecular weight of 221.18 g/mol, XLogP of 1.86, 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-trifluoropropanamide is sourced from PubChem (CID 115692392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).