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

C20H20ClFN4O2 — CID 58157041

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1
InChIInChI=1S/C20H20ClFN4O2/c1-12-18(8-20(27)24-9-14-4-5-15(22)6-19(14)21)13(2)26(25-12)16-7-17(28-3)11-23-10-16/h4-7,10-11H,8-9H2,1-3H3,(H,24,27)
InChIKeyFSCWFERLHQSZGN-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.54
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 58157041) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID58157041
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1
InChIInChI=1S/C20H20ClFN4O2/c1-12-18(8-20(27)24-9-14-4-5-15(22)6-19(14)21)13(2)26(25-12)16-7-17(28-3)11-23-10-16/h4-7,10-11H,8-9H2,1-3H3,(H,24,27)
InChIKeyFSCWFERLHQSZGN-UHFFFAOYSA-N
XLogP3.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-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

Related Compounds

4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162677266
N-(6-((1-(3-chloro-4-cyanophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)oxy)pyridin-3-yl)-2,2-dimethylpropanamide
CID 44240609
N-(6-{[1-(3-chloro-4-cyanophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]oxy}pyridin-3-yl)acetamide
CID 57403630
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106832
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157031
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(6-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157053
US10138222, Example 26
CID 134325408
US10138222, Example 27
CID 134325360
(3aR,6aS)-5-[(3-chloro-4-fluorophenyl)methyl]-N-(5-methoxy-3-pyridinyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
CID 134804907
1-[1-(3-Chloro-4-fluoro-phenyl)-5-(5-methoxy-3-pyridyl)pyrazole-3-carbonyl]imidazolidin-4-one
CID 86574307
4-[1-(3-Chloro-4-fluoro-phenyl)-5-(5-methoxy-3-pyridyl)pyrazole-3-carbonyl]piperazin-2-one
CID 86574308
3-(2-chlorophenyl)-N-(6-methoxypyridin-3-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 60174771

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 58157041) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide is COc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is FSCWFERLHQSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-12-18(8-20(27)24-9-14-4-5-15(22)6-19(14)21)13(2)26(25-12)16-7-17(28-3)11-23-10-16/h4-7,10-11H,8-9H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 402.86 g/mol, XLogP of 3.54, 6 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-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 58157041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).