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

C18H23ClFN3O — CID 25107111

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C18H23ClFN3O/c1-11(2)10-23-13(4)16(12(3)22-23)8-18(24)21-9-14-5-6-15(20)7-17(14)19/h5-7,11H,8-10H2,1-4H3,(H,21,24)
InChIKeyATEYHIRZVVZYKA-UHFFFAOYSA-N
MW351.85 g/mol
LogP3.81
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide (PubChem CID 25107111) has the molecular formula C18H23ClFN3O and a molecular weight of 351.85 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
PubChem CID25107111
Molecular FormulaC18H23ClFN3O
Molecular Weight351.85 g/mol
Exact Mass351.15
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C18H23ClFN3O/c1-11(2)10-23-13(4)16(12(3)22-23)8-18(24)21-9-14-5-6-15(20)7-17(14)19/h5-7,11H,8-10H2,1-4H3,(H,21,24)
InChIKeyATEYHIRZVVZYKA-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide (CID 25107111) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The InChIKey is ATEYHIRZVVZYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O/c1-11(2)10-23-13(4)16(12(3)22-23)8-18(24)21-9-14-5-6-15(20)7-17(14)19/h5-7,11H,8-10H2,1-4H3,(H,21,24).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide has a molecular weight of 351.85 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 25107111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).