N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide

C18H17ClFN5O — CID 25107017

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ncccn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFN5O/c1-11-15(12(2)25(24-11)18-21-6-3-7-22-18)9-17(26)23-10-13-4-5-14(20)8-16(13)19/h3-8H,9-10H2,1-2H3,(H,23,26)
InChIKeyYJGLYWQVHGTPSD-UHFFFAOYSA-N
MW373.82 g/mol
LogP2.93
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide (PubChem CID 25107017) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide
PubChem CID25107017
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ncccn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFN5O/c1-11-15(12(2)25(24-11)18-21-6-3-7-22-18)9-17(26)23-10-13-4-5-14(20)8-16(13)19/h3-8H,9-10H2,1-2H3,(H,23,26)
InChIKeyYJGLYWQVHGTPSD-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-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-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide (CID 25107017) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide is Cc1nn(-c2ncccn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide?
The InChIKey is YJGLYWQVHGTPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-11-15(12(2)25(24-11)18-21-6-3-7-22-18)9-17(26)23-10-13-4-5-14(20)8-16(13)19/h3-8H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide has a molecular weight of 373.82 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 25107017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).