2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide

C18H22F2N4O2 — CID 48679820

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C18H22F2N4O2/c1-12-16(13(2)24(22-12)18(19)20)11-17(25)21-14-4-3-5-15(10-14)23-6-8-26-9-7-23/h3-5,10,18H,6-9,11H2,1-2H3,(H,21,25)
InChIKeyGYUCAZUITJDLIW-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide (PubChem CID 48679820) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide
PubChem CID48679820
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C18H22F2N4O2/c1-12-16(13(2)24(22-12)18(19)20)11-17(25)21-14-4-3-5-15(10-14)23-6-8-26-9-7-23/h3-5,10,18H,6-9,11H2,1-2H3,(H,21,25)
InChIKeyGYUCAZUITJDLIW-UHFFFAOYSA-N
XLogP2.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612977
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide
CID 110426261
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylphenyl)propanamide
CID 71938578
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid
CID 56797524
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 9226832
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002
5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55951161
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide (CID 48679820) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide?
The InChIKey is GYUCAZUITJDLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-12-16(13(2)24(22-12)18(19)20)11-17(25)21-14-4-3-5-15(10-14)23-6-8-26-9-7-23/h3-5,10,18H,6-9,11H2,1-2H3,(H,21,25).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide has a molecular weight of 364.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 48679820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).