N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

C13H13F3N4O — CID 78924427

IUPACN-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)8-17-7-12(21)19-10-3-1-9(2-4-10)11-5-6-18-20-11/h1-6,17H,7-8H2,(H,18,20)(H,19,21)
InChIKeyBVEAMYFOQKCHIY-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.17
Rot. Bonds5

About N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924427) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924427
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)8-17-7-12(21)19-10-3-1-9(2-4-10)11-5-6-18-20-11/h1-6,17H,7-8H2,(H,18,20)(H,19,21)
InChIKeyBVEAMYFOQKCHIY-UHFFFAOYSA-N
XLogP2.17
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942344
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55995142
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55579201
N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957889
2-(cyclopropylmethoxy)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 51081144
4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914909

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924427) is N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is BVEAMYFOQKCHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)8-17-7-12(21)19-10-3-1-9(2-4-10)11-5-6-18-20-11/h1-6,17H,7-8H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 298.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).