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

C8H7F6N3O — CID 103310309

IUPAC3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide
SMILESCc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6N3O/c1-3-2-15-17-5(3)16-6(18)4(7(9,10)11)8(12,13)14/h2,4H,1H3,(H2,15,16,17,18)
InChIKeyIXSCEYZJLOAPEN-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.40
Rot. Bonds2

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

3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide (PubChem CID 103310309) has the molecular formula C8H7F6N3O and a molecular weight of 275.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide
PubChem CID103310309
Molecular FormulaC8H7F6N3O
Molecular Weight275.15 g/mol
Exact Mass275.05
IUPAC Name3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide
SMILESCc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6N3O/c1-3-2-15-17-5(3)16-6(18)4(7(9,10)11)8(12,13)14/h2,4H,1H3,(H2,15,16,17,18)
InChIKeyIXSCEYZJLOAPEN-UHFFFAOYSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)acetamide
CID 353942
2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide
CID 61394305
(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 164642746
3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide
CID 69093089
N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
CID 121254681
2,3,3-trifluoro-2-methyl-N-(1H-pyrazol-5-yl)propanamide
CID 173552076
5-Acetamido-1H-pyrazole-4-carboxamide
CID 309068
3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide
CID 61393086
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butanamide
CID 65711769
5-(2,2,2-Trifluoroacetamido)-1H-pyrazole-4-carboxamide
CID 73553302
N-(4-Cyano-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 73553304
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79503749

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide (CID 103310309) is 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide is Cc1cn[nH]c1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide?
The InChIKey is IXSCEYZJLOAPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O/c1-3-2-15-17-5(3)16-6(18)4(7(9,10)11)8(12,13)14/h2,4H,1H3,(H2,15,16,17,18).
What are the key properties of 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide has a molecular weight of 275.15 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).