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

C20H20ClFN4O — CID 58157075

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
SMILESCc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIInChI=1S/C20H20ClFN4O/c1-12-17(14(3)26(25-12)19-5-4-8-23-13(19)2)10-20(27)24-11-15-6-7-16(22)9-18(15)21/h4-9H,10-11H2,1-3H3,(H,24,27)
InChIKeyILPRLXBXZAEQKG-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.84
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide (PubChem CID 58157075) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
PubChem CID58157075
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
SMILESCc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIInChI=1S/C20H20ClFN4O/c1-12-17(14(3)26(25-12)19-5-4-8-23-13(19)2)10-20(27)24-11-15-6-7-16(22)9-18(15)21/h4-9H,10-11H2,1-3H3,(H,24,27)
InChIKeyILPRLXBXZAEQKG-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16194125
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 4394883
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741
1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 5-phenylamide 3-[(pyridin-3-ylmethyl)-amide]
CID 10048413
N-[4-[3-(Trifluoromethyl)-5-chloro-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10715078
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106221
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106658
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
CID 25106741
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106743
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide
CID 25107017
6-Chloro-N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)nicotinamide
CID 46885190
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887145

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide (CID 58157075) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide is Cc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide?
The InChIKey is ILPRLXBXZAEQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-12-17(14(3)26(25-12)19-5-4-8-23-13(19)2)10-20(27)24-11-15-6-7-16(22)9-18(15)21/h4-9H,10-11H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide has a molecular weight of 386.86 g/mol, XLogP of 3.84, 5 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-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 58157075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).