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

C21H21ClFN3O2 — CID 25106832

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOc1ccccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIInChI=1S/C21H21ClFN3O2/c1-13-17(11-21(27)24-12-15-8-9-16(23)10-18(15)22)14(2)26(25-13)19-6-4-5-7-20(19)28-3/h4-10H,11-12H2,1-3H3,(H,24,27)
InChIKeyGEXDLYSMXJSZHU-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.15
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 25106832) has the molecular formula C21H21ClFN3O2 and a molecular weight of 401.87 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID25106832
Molecular FormulaC21H21ClFN3O2
Molecular Weight401.87 g/mol
Exact Mass401.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOc1ccccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIInChI=1S/C21H21ClFN3O2/c1-13-17(11-21(27)24-12-15-8-9-16(23)10-18(15)22)14(2)26(25-13)19-6-4-5-7-20(19)28-3/h4-10H,11-12H2,1-3H3,(H,24,27)
InChIKeyGEXDLYSMXJSZHU-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106744
5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2047123
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129711
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide
CID 2093138
1-[4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 70692165
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106747
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106834
N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-(3,5-difluoro-4-methoxyphenyl)propanamide
CID 49801347
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-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157041
N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide
CID 73296843

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 25106832) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide is COc1ccccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is GEXDLYSMXJSZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2/c1-13-17(11-21(27)24-12-15-8-9-16(23)10-18(15)22)14(2)26(25-13)19-6-4-5-7-20(19)28-3/h4-10H,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 401.87 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 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-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 25106832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).