3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide

C16H25F2N3O2 — CID 91311055

IUPAC3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide
SMILESCOC(C)(C)Cn1ccc(NC(=O)CCC2CCC(F)(F)C2)n1
InChIInChI=1S/C16H25F2N3O2/c1-15(2,23-3)11-21-9-7-13(20-21)19-14(22)5-4-12-6-8-16(17,18)10-12/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,19,20,22)
InChIKeyXYURZGAGSVFVNF-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.46
Rot. Bonds7

About 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide

3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide (PubChem CID 91311055) has the molecular formula C16H25F2N3O2 and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide
PubChem CID91311055
Molecular FormulaC16H25F2N3O2
Molecular Weight329.39 g/mol
Exact Mass329.19
IUPAC Name3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide
SMILESCOC(C)(C)Cn1ccc(NC(=O)CCC2CCC(F)(F)C2)n1
InChIInChI=1S/C16H25F2N3O2/c1-15(2,23-3)11-21-9-7-13(20-21)19-14(22)5-4-12-6-8-16(17,18)10-12/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,19,20,22)
InChIKeyXYURZGAGSVFVNF-UHFFFAOYSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-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 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide (CID 91311055) is 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide is COC(C)(C)Cn1ccc(NC(=O)CCC2CCC(F)(F)C2)n1.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The InChIKey is XYURZGAGSVFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O2/c1-15(2,23-3)11-21-9-7-13(20-21)19-14(22)5-4-12-6-8-16(17,18)10-12/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,19,20,22).
What are the key properties of 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide?
3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide has a molecular weight of 329.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 91311055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).