N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C21H22N4O4 — CID 127024786

IUPACN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C21H22N4O4/c1-23(2)20(28)14-4-6-16(7-5-14)25(13-15-10-11-24(3)22-15)21(29)18-9-8-17(26)12-19(18)27/h4-12,26-27H,13H2,1-3H3
InChIKeyXWRKXLAABPAXIJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.38
Rot. Bonds5

About N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide

N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 127024786) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID127024786
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C21H22N4O4/c1-23(2)20(28)14-4-6-16(7-5-14)25(13-15-10-11-24(3)22-15)21(29)18-9-8-17(26)12-19(18)27/h4-12,26-27H,13H2,1-3H3
InChIKeyXWRKXLAABPAXIJ-UHFFFAOYSA-N
XLogP2.38
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 886358
N-(4-acetylphenyl)-5-(2,4-dihydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 136016452
(2,4-dihydroxyphenyl)-[2-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967730
(2,4-dihydroxyphenyl)-[2-methyl-6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117970627
(2,4-dihydroxyphenyl)-[6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117971101
2,4-dihydroxy-N-[4-(methylcarbamoyl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 117972471
N-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 117972571
N-benzyl-2,4-dihydroxy-N-[4-(4-methylpyridazin-3-yl)phenyl]benzamide
CID 117972618
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 117972789
(2,4-Dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 44590006
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylindazol-4-yl)methyl]benzamide
CID 127024227
1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 127024768

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 127024786) is N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide is CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is XWRKXLAABPAXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-23(2)20(28)14-4-6-16(7-5-14)25(13-15-10-11-24(3)22-15)21(29)18-9-8-17(26)12-19(18)27/h4-12,26-27H,13H2,1-3H3.
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 127024786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).