N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

C20H20N4O4 — CID 9296494

IUPACN-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(N)=O)cc1OC
InChIInChI=1S/C20H20N4O4/c1-27-16-9-8-13(10-17(16)28-2)19-15(20(26)22-11-18(21)25)12-24(23-19)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyVUBXSHBZRZTFBB-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.77
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 9296494) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID9296494
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(N)=O)cc1OC
InChIInChI=1S/C20H20N4O4/c1-27-16-9-8-13(10-17(16)28-2)19-15(20(26)22-11-18(21)25)12-24(23-19)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyVUBXSHBZRZTFBB-UHFFFAOYSA-N
XLogP1.77
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
3-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 16613798
3-(3,4-dimethoxyphenyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 26454642
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfinylbutyl)-1-phenylpyrazole-4-carboxamide
CID 71915708
3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 26121098
3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 46654586
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55725584
3-(3,4-dimethoxyphenyl)-N-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-1-phenylpyrazole-4-carboxamide
CID 51514887

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 9296494) is N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(N)=O)cc1OC.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VUBXSHBZRZTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-27-16-9-8-13(10-17(16)28-2)19-15(20(26)22-11-18(21)25)12-24(23-19)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,22,26).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9296494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).