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

C20H20ClFN4O — CID 58157004

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
SMILESCc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1
InChIInChI=1S/C20H20ClFN4O/c1-12-6-17(11-23-9-12)26-14(3)18(13(2)25-26)8-20(27)24-10-15-4-5-16(22)7-19(15)21/h4-7,9,11H,8,10H2,1-3H3,(H,24,27)
InChIKeyOLIQWUWBYFKHHV-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.84
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide (PubChem CID 58157004) 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-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
PubChem CID58157004
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
SMILESCc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1
InChIInChI=1S/C20H20ClFN4O/c1-12-6-17(11-23-9-12)26-14(3)18(13(2)25-26)8-20(27)24-10-15-4-5-16(22)7-19(15)21/h4-7,9,11H,8,10H2,1-3H3,(H,24,27)
InChIKeyOLIQWUWBYFKHHV-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide (CID 58157004) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide is Cc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide?
The InChIKey is OLIQWUWBYFKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-12-6-17(11-23-9-12)26-14(3)18(13(2)25-26)8-20(27)24-10-15-4-5-16(22)7-19(15)21/h4-7,9,11H,8,10H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-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-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 58157004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).