2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C9H13F3N4O — CID 79805512

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-5-6(4-15-16-5)3-14-7(17)8(2,13)9(10,11)12/h4H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWLPSZJFFZVCNMY-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.61
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 79805512) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID79805512
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-5-6(4-15-16-5)3-14-7(17)8(2,13)9(10,11)12/h4H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWLPSZJFFZVCNMY-UHFFFAOYSA-N
XLogP0.61
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 79805512) is 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is WLPSZJFFZVCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5-6(4-15-16-5)3-14-7(17)8(2,13)9(10,11)12/h4H,3,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 250.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 79805512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).