N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide

C24H28N4O4 — CID 52905973

IUPACN-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(-c3ccccc3C)c(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C24H28N4O4/c1-17-6-4-5-7-19(17)20-15-28(26-24(20)27-10-12-32-13-11-27)16-23(29)25-18-8-9-21(30-2)22(14-18)31-3/h4-9,14-15H,10-13,16H2,1-3H3,(H,25,29)
InChIKeyOOMHIQZXHUCMFD-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.35
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (PubChem CID 52905973) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
PubChem CID52905973
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(-c3ccccc3C)c(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C24H28N4O4/c1-17-6-4-5-7-19(17)20-15-28(26-24(20)27-10-12-32-13-11-27)16-23(29)25-18-8-9-21(30-2)22(14-18)31-3/h4-9,14-15H,10-13,16H2,1-3H3,(H,25,29)
InChIKeyOOMHIQZXHUCMFD-UHFFFAOYSA-N
XLogP3.35
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905942
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905943
N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905917
N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905928
N-(2-ethoxyphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905906
N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 171146388
N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide
CID 53164378
N-(3,4-dimethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110423166
N-(3,4-dimethoxyphenyl)-2-(3,4-dioxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)acetamide
CID 16898019
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810341
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (CID 52905973) is N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2cc(-c3ccccc3C)c(N3CCOCC3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The InChIKey is OOMHIQZXHUCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-17-6-4-5-7-19(17)20-15-28(26-24(20)27-10-12-32-13-11-27)16-23(29)25-18-8-9-21(30-2)22(14-18)31-3/h4-9,14-15H,10-13,16H2,1-3H3,(H,25,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 52905973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).