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

C12H19F2N3O2 — CID 103770002

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC(O)C(F)F
InChIInChI=1S/C12H19F2N3O2/c1-7-9(8(2)17(3)16-7)4-5-11(19)15-6-10(18)12(13)14/h10,12,18H,4-6H2,1-3H3,(H,15,19)
InChIKeySLVFGHDKZGPCGY-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.71
Rot. Bonds6

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

N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 103770002) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID103770002
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC(O)C(F)F
InChIInChI=1S/C12H19F2N3O2/c1-7-9(8(2)17(3)16-7)4-5-11(19)15-6-10(18)12(13)14/h10,12,18H,4-6H2,1-3H3,(H,15,19)
InChIKeySLVFGHDKZGPCGY-UHFFFAOYSA-N
XLogP0.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 103770002) is N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is SLVFGHDKZGPCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c1-7-9(8(2)17(3)16-7)4-5-11(19)15-6-10(18)12(13)14/h10,12,18H,4-6H2,1-3H3,(H,15,19).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 275.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 103770002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).