N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide

C27H28N4O3 — CID 39791312

IUPACN-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1
InChIInChI=1S/C27H28N4O3/c1-30(19-26(32)28-22-14-24(33-2)16-25(15-22)34-3)17-21-18-31(23-12-8-5-9-13-23)29-27(21)20-10-6-4-7-11-20/h4-16,18H,17,19H2,1-3H3,(H,28,32)
InChIKeyBWOXGCZHOUEZBG-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.63
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide

N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 39791312) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID39791312
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1
InChIInChI=1S/C27H28N4O3/c1-30(19-26(32)28-22-14-24(33-2)16-25(15-22)34-3)17-21-18-31(23-12-8-5-9-13-23)29-27(21)20-10-6-4-7-11-20/h4-16,18H,17,19H2,1-3H3,(H,28,32)
InChIKeyBWOXGCZHOUEZBG-UHFFFAOYSA-N
XLogP4.63
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55504042
methyl 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 35187589
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
CID 34708687
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide (CID 39791312) is N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide is COc1cc(NC(=O)CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is BWOXGCZHOUEZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-30(19-26(32)28-22-14-24(33-2)16-25(15-22)34-3)17-21-18-31(23-12-8-5-9-13-23)29-27(21)20-10-6-4-7-11-20/h4-16,18H,17,19H2,1-3H3,(H,28,32).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 456.55 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 39791312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).