N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C12H18F3N3O2 — CID 103723127

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-7-9(8(2)18(3)17-7)4-5-11(20)16-6-10(19)12(13,14)15/h10,19H,4-6H2,1-3H3,(H,16,20)
InChIKeyFFDBXSTZENAYTO-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.01
Rot. Bonds5

About N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 103723127) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID103723127
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-7-9(8(2)18(3)17-7)4-5-11(20)16-6-10(19)12(13,14)15/h10,19H,4-6H2,1-3H3,(H,16,20)
InChIKeyFFDBXSTZENAYTO-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 103723127) is N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is FFDBXSTZENAYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-7-9(8(2)18(3)17-7)4-5-11(20)16-6-10(19)12(13,14)15/h10,19H,4-6H2,1-3H3,(H,16,20).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 293.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 103723127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).