N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C16H19ClFN3O2 — CID 46887253

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(CCO)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFN3O2/c1-10-14(11(2)21(20-10)5-6-22)8-16(23)19-9-12-3-4-13(18)7-15(12)17/h3-4,7,22H,5-6,8-9H2,1-2H3,(H,19,23)
InChIKeyTZSVVKZEVHKQHI-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.14
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 46887253) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID46887253
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(CCO)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFN3O2/c1-10-14(11(2)21(20-10)5-6-22)8-16(23)19-9-12-3-4-13(18)7-15(12)17/h3-4,7,22H,5-6,8-9H2,1-2H3,(H,19,23)
InChIKeyTZSVVKZEVHKQHI-UHFFFAOYSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-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-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 46887253) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(CCO)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is TZSVVKZEVHKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-10-14(11(2)21(20-10)5-6-22)8-16(23)19-9-12-3-4-13(18)7-15(12)17/h3-4,7,22H,5-6,8-9H2,1-2H3,(H,19,23).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 339.80 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 46887253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).