N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide

C21H20N4O3 — CID 19410634

IUPACN,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C21H20N4O3/c1-13-8-10-14(11-9-13)19(26)15-6-4-5-7-16(15)20(27)23-17-12-25(3)24-18(17)21(28)22-2/h4-12H,1-3H3,(H,22,28)(H,23,27)
InChIKeyXPFZCVNRNLKCGF-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.57
Rot. Bonds5

About N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide

N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide (PubChem CID 19410634) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide
PubChem CID19410634
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C21H20N4O3/c1-13-8-10-14(11-9-13)19(26)15-6-4-5-7-16(15)20(27)23-17-12-25(3)24-18(17)21(28)22-2/h4-12H,1-3H3,(H,22,28)(H,23,27)
InChIKeyXPFZCVNRNLKCGF-UHFFFAOYSA-N
XLogP2.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973
4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410660
4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410615
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-methylbenzoyl)benzamide
CID 19335881
2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058915
1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
methyl 1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-3-carboxylate
CID 19341428
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide (CID 19410634) is N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccccc1C(=O)c1ccc(C)cc1.
What is the InChIKey of N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide?
The InChIKey is XPFZCVNRNLKCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-8-10-14(11-9-13)19(26)15-6-4-5-7-16(15)20(27)23-17-12-25(3)24-18(17)21(28)22-2/h4-12H,1-3H3,(H,22,28)(H,23,27).
What are the key properties of N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide?
N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19410634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).