N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide

C11H16F3N3O2 — CID 126758511

IUPACN-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C(C)(O)C(F)(F)F)cnn1C(C)C
InChIInChI=1S/C11H16F3N3O2/c1-6(2)17-9(16-7(3)18)8(5-15-17)10(4,19)11(12,13)14/h5-6,19H,1-4H3,(H,16,18)
InChIKeyDYKKINCQUNKXOE-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.19
Rot. Bonds3

About N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide

N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide (PubChem CID 126758511) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide
PubChem CID126758511
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C(C)(O)C(F)(F)F)cnn1C(C)C
InChIInChI=1S/C11H16F3N3O2/c1-6(2)17-9(16-7(3)18)8(5-15-17)10(4,19)11(12,13)14/h5-6,19H,1-4H3,(H,16,18)
InChIKeyDYKKINCQUNKXOE-UHFFFAOYSA-N
XLogP2.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide (CID 126758511) is N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide is CC(=O)Nc1c(C(C)(O)C(F)(F)F)cnn1C(C)C.
What is the InChIKey of N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is DYKKINCQUNKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-6(2)17-9(16-7(3)18)8(5-15-17)10(4,19)11(12,13)14/h5-6,19H,1-4H3,(H,16,18).
What are the key properties of N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide?
N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 279.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 126758511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).