2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide

C10H15F3N4O — CID 103006889

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
SMILESCn1nccc1CCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-9(14,10(11,12)13)8(18)15-5-3-7-4-6-16-17(7)2/h4,6H,3,5,14H2,1-2H3,(H,15,18)
InChIKeyYNHWYKPDADLTKH-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.36
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide (PubChem CID 103006889) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
PubChem CID103006889
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
SMILESCn1nccc1CCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-9(14,10(11,12)13)8(18)15-5-3-7-4-6-16-17(7)2/h4,6H,3,5,14H2,1-2H3,(H,15,18)
InChIKeyYNHWYKPDADLTKH-UHFFFAOYSA-N
XLogP0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
CID 103007055
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
CID 103004839
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 77094388
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide (CID 103006889) is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide is Cn1nccc1CCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The InChIKey is YNHWYKPDADLTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-9(14,10(11,12)13)8(18)15-5-3-7-4-6-16-17(7)2/h4,6H,3,5,14H2,1-2H3,(H,15,18).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide has a molecular weight of 264.25 g/mol, XLogP of 0.36, 4 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-[2-(2-methylpyrazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 103006889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).