2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C10H15F3N4O — CID 141194073

IUPAC2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)NCc1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-6(2)15-3-7-4-17(5-8(14)18)16-9(7)10(11,12)13/h4,6,15H,3,5H2,1-2H3,(H2,14,18)
InChIKeyATQNKPSJPYFPOI-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.89
Rot. Bonds5

About 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 141194073) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID141194073
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)NCc1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-6(2)15-3-7-4-17(5-8(14)18)16-9(7)10(11,12)13/h4,6,15H,3,5H2,1-2H3,(H2,14,18)
InChIKeyATQNKPSJPYFPOI-UHFFFAOYSA-N
XLogP0.89
TPSA72.94 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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 141194073) is 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)NCc1cn(CC(N)=O)nc1C(F)(F)F.
What is the InChIKey of 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ATQNKPSJPYFPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6(2)15-3-7-4-17(5-8(14)18)16-9(7)10(11,12)13/h4,6,15H,3,5H2,1-2H3,(H2,14,18).
What are the key properties of 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 264.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 141194073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).