2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide

C8H11F3N4O — CID 79797778

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C(C)(N)C(F)(F)F)cn1
InChIInChI=1S/C8H11F3N4O/c1-7(12,8(9,10)11)6(16)14-5-3-13-15(2)4-5/h3-4H,12H2,1-2H3,(H,14,16)
InChIKeyVBSHRSMZVPMORD-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.64
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 79797778) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID79797778
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C(C)(N)C(F)(F)F)cn1
InChIInChI=1S/C8H11F3N4O/c1-7(12,8(9,10)11)6(16)14-5-3-13-15(2)4-5/h3-4H,12H2,1-2H3,(H,14,16)
InChIKeyVBSHRSMZVPMORD-UHFFFAOYSA-N
XLogP0.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942
2-(aminomethyl)-2-methyl-N-(1-methylpyrazol-4-yl)butanamide
CID 114290367
2-(ethylamino)-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 62831574
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid
CID 135303812
1-amino-N-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 65465915
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid
CID 76991406
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide (CID 79797778) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)C(C)(N)C(F)(F)F)cn1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is VBSHRSMZVPMORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-7(12,8(9,10)11)6(16)14-5-3-13-15(2)4-5/h3-4H,12H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 236.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 79797778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).