N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide

C20H21N5O2 — CID 137425628

IUPACN-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide
SMILESCNC(=O)c1cccc(C(NC)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C20H21N5O2/c1-21-18(14-4-3-5-15(10-14)19(26)22-2)20(27)25-17-8-6-13(7-9-17)16-11-23-24-12-16/h3-12,18,21H,1-2H3,(H,22,26)(H,23,24)(H,25,27)
InChIKeyWFYKLKYFTOSKSD-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.34
Rot. Bonds6

About N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide

N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide (PubChem CID 137425628) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide
PubChem CID137425628
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide
SMILESCNC(=O)c1cccc(C(NC)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C20H21N5O2/c1-21-18(14-4-3-5-15(10-14)19(26)22-2)20(27)25-17-8-6-13(7-9-17)16-11-23-24-12-16/h3-12,18,21H,1-2H3,(H,22,26)(H,23,24)(H,25,27)
InChIKeyWFYKLKYFTOSKSD-UHFFFAOYSA-N
XLogP2.34
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole diamide, 25
CID 24971319
IL-17 modulator 4
CID 153616520
N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-2-(4-chlorophenyl)-acetamide
CID 46900281
3-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874840
4-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874841
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723779
2-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723780
3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723781
4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723782
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[3-(1H-pyrazol-4-yl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 137632753
N-(4-acetylphenyl)-1H-pyrazole-3-carboxamide
CID 3241848
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide?
The IUPAC name of N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide (CID 137425628) is N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide.
What is the SMILES notation for N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide?
The canonical SMILES for N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide is CNC(=O)c1cccc(C(NC)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide?
The InChIKey is WFYKLKYFTOSKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-21-18(14-4-3-5-15(10-14)19(26)22-2)20(27)25-17-8-6-13(7-9-17)16-11-23-24-12-16/h3-12,18,21H,1-2H3,(H,22,26)(H,23,24)(H,25,27).
What are the key properties of N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide?
N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide is sourced from PubChem (CID 137425628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).