2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H15F3N4O — CID 114094335

IUPAC2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)n1ccc(NCC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-7(2)17-4-3-8(16-17)14-5-9(18)15-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyBTQGGJBHVDPSMY-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.55
Rot. Bonds5

About 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114094335) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114094335
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)n1ccc(NCC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-7(2)17-4-3-8(16-17)14-5-9(18)15-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyBTQGGJBHVDPSMY-UHFFFAOYSA-N
XLogP1.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114253532
2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75497567
1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 130496246
N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
CID 130496244
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95325251
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 75380587
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 112682989
4,4,4-trifluoro-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]butanamide
CID 97089043

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 114094335) is 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)n1ccc(NCC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BTQGGJBHVDPSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-7(2)17-4-3-8(16-17)14-5-9(18)15-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114094335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).