N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

C17H22FN3O2 — CID 111483266

IUPACN-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCCC(O)(CC)CNC(=O)Cc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3O2/c1-3-17(23,4-2)12-19-16(22)11-14-9-10-21(20-14)15-7-5-13(18)6-8-15/h5-10,23H,3-4,11-12H2,1-2H3,(H,19,22)
InChIKeyRSRCLRBTMLQJDQ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.22
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 111483266) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
PubChem CID111483266
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCCC(O)(CC)CNC(=O)Cc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3O2/c1-3-17(23,4-2)12-19-16(22)11-14-9-10-21(20-14)15-7-5-13(18)6-8-15/h5-10,23H,3-4,11-12H2,1-2H3,(H,19,22)
InChIKeyRSRCLRBTMLQJDQ-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide 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-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (CID 111483266) is N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is CCC(O)(CC)CNC(=O)Cc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is RSRCLRBTMLQJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-3-17(23,4-2)12-19-16(22)11-14-9-10-21(20-14)15-7-5-13(18)6-8-15/h5-10,23H,3-4,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 319.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 111483266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).