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

C20H26ClFN4O2 — CID 58157019

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide
SMILESCc1nn(CCN2CCOCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H26ClFN4O2/c1-14-18(12-20(27)23-13-16-3-4-17(22)11-19(16)21)15(2)26(24-14)6-5-25-7-9-28-10-8-25/h3-4,11H,5-10,12-13H2,1-2H3,(H,23,27)
InChIKeyRIMQJJGAZNXXEY-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.48
Rot. Bonds7

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide (PubChem CID 58157019) has the molecular formula C20H26ClFN4O2 and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide
PubChem CID58157019
Molecular FormulaC20H26ClFN4O2
Molecular Weight408.91 g/mol
Exact Mass408.17
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide
SMILESCc1nn(CCN2CCOCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H26ClFN4O2/c1-14-18(12-20(27)23-13-16-3-4-17(22)11-19(16)21)15(2)26(24-14)6-5-25-7-9-28-10-8-25/h3-4,11H,5-10,12-13H2,1-2H3,(H,23,27)
InChIKeyRIMQJJGAZNXXEY-UHFFFAOYSA-N
XLogP2.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-morpholin-4-ylethyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide (CID 58157019) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide is Cc1nn(CCN2CCOCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide?
The InChIKey is RIMQJJGAZNXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN4O2/c1-14-18(12-20(27)23-13-16-3-4-17(22)11-19(16)21)15(2)26(24-14)6-5-25-7-9-28-10-8-25/h3-4,11H,5-10,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide has a molecular weight of 408.91 g/mol, XLogP of 2.48, 7 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-[3,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 58157019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).