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

C9H13F3N4O — CID 113339606

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C9H13F3N4O/c1-6(7-2-14-15-3-7)16-8(17)4-13-5-9(10,11)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyNUCCKIDCZMJBRP-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.74
Rot. Bonds5

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

N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113339606) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113339606
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C9H13F3N4O/c1-6(7-2-14-15-3-7)16-8(17)4-13-5-9(10,11)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyNUCCKIDCZMJBRP-UHFFFAOYSA-N
XLogP0.74
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43663763
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
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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
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61021666
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
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924536

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113339606) is N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is NUCCKIDCZMJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-6(7-2-14-15-3-7)16-8(17)4-13-5-9(10,11)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113339606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).