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

C9H9F6N3O — CID 106217629

IUPAC3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide
SMILESCC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C9H9F6N3O/c1-4(5-2-16-17-3-5)18-7(19)6(8(10,11)12)9(13,14)15/h2-4,6H,1H3,(H,16,17)(H,18,19)
InChIKeyVGYPBVDUNLVQDN-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.33
Rot. Bonds3

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

3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide (PubChem CID 106217629) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide
PubChem CID106217629
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC Name3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide
SMILESCC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C9H9F6N3O/c1-4(5-2-16-17-3-5)18-7(19)6(8(10,11)12)9(13,14)15/h2-4,6H,1H3,(H,16,17)(H,18,19)
InChIKeyVGYPBVDUNLVQDN-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N'-[2-(1H-pyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)urea
CID 119073298
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 127006745
3,3,3-trifluoro-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967568
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 61004307
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61021666
3,3,3-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 64053125
2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 64054581
4,4,4-trifluoro-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 65711585
4,4,4-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 65711586

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide (CID 106217629) is 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide is CC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide?
The InChIKey is VGYPBVDUNLVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-4(5-2-16-17-3-5)18-7(19)6(8(10,11)12)9(13,14)15/h2-4,6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide has a molecular weight of 289.18 g/mol, XLogP of 2.33, 3 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-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 106217629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).