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

C25H30N4O2 — CID 50841164

IUPACN-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESCCN(C(=O)Cn1cc(-c2ccc(C)cc2)c(N2CCOCC2)n1)c1cccc(C)c1
InChIInChI=1S/C25H30N4O2/c1-4-29(22-7-5-6-20(3)16-22)24(30)18-28-17-23(21-10-8-19(2)9-11-21)25(26-28)27-12-14-31-15-13-27/h5-11,16-17H,4,12-15,18H2,1-3H3
InChIKeyVRTWVKCMPOUUIL-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.06
Rot. Bonds6

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

N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (PubChem CID 50841164) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
PubChem CID50841164
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESCCN(C(=O)Cn1cc(-c2ccc(C)cc2)c(N2CCOCC2)n1)c1cccc(C)c1
InChIInChI=1S/C25H30N4O2/c1-4-29(22-7-5-6-20(3)16-22)24(30)18-28-17-23(21-10-8-19(2)9-11-21)25(26-28)27-12-14-31-15-13-27/h5-11,16-17H,4,12-15,18H2,1-3H3
InChIKeyVRTWVKCMPOUUIL-UHFFFAOYSA-N
XLogP4.06
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905942
N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905928
N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360307
N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 82202096
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295025
N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 50841318
N-(2-ethoxyphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905906
N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905917
N-ethyl-N-(3-methylphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103874
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 121051941
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (CID 50841164) is N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is CCN(C(=O)Cn1cc(-c2ccc(C)cc2)c(N2CCOCC2)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The InChIKey is VRTWVKCMPOUUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-29(22-7-5-6-20(3)16-22)24(30)18-28-17-23(21-10-8-19(2)9-11-21)25(26-28)27-12-14-31-15-13-27/h5-11,16-17H,4,12-15,18H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 50841164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).