2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide

C23H20ClN5O2 — CID 122311512

IUPAC2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)ncn2)n1
InChIInChI=1S/C23H20ClN5O2/c1-15-11-16(2)29(28-15)21-13-23(26-14-25-21)31-20-9-7-19(8-10-20)27-22(30)12-17-3-5-18(24)6-4-17/h3-11,13-14H,12H2,1-2H3,(H,27,30)
InChIKeyPMYXRGXHPBIOBE-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide

2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide (PubChem CID 122311512) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
PubChem CID122311512
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)ncn2)n1
InChIInChI=1S/C23H20ClN5O2/c1-15-11-16(2)29(28-15)21-13-23(26-14-25-21)31-20-9-7-19(8-10-20)27-22(30)12-17-3-5-18(24)6-4-17/h3-11,13-14H,12H2,1-2H3,(H,27,30)
InChIKeyPMYXRGXHPBIOBE-UHFFFAOYSA-N
XLogP4.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122311682
2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122313780
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 122305406
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-oxazole-5-carboxamide
CID 122311628
1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 122311667
2-bromo-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311816
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide
CID 122311638
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122310598
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
CID 850309
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide
CID 122311480

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide (CID 122311512) is 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide is Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)ncn2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The InChIKey is PMYXRGXHPBIOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-15-11-16(2)29(28-15)21-13-23(26-14-25-21)31-20-9-7-19(8-10-20)27-22(30)12-17-3-5-18(24)6-4-17/h3-11,13-14H,12H2,1-2H3,(H,27,30).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122311512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).