N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide

C14H16N4O2 — CID 33366231

IUPACN,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C14H16N4O2/c1-17(2)14(20)11-5-3-6-12(9-11)16-13(19)10-18-8-4-7-15-18/h3-9H,10H2,1-2H3,(H,16,19)
InChIKeyHMUFIGMBYUUFIU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.22
Rot. Bonds4

About N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide

N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide (PubChem CID 33366231) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
PubChem CID33366231
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C14H16N4O2/c1-17(2)14(20)11-5-3-6-12(9-11)16-13(19)10-18-8-4-7-15-18/h3-9H,10H2,1-2H3,(H,16,19)
InChIKeyHMUFIGMBYUUFIU-UHFFFAOYSA-N
XLogP1.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
N-(3-phenoxyphenyl)-2-pyrazol-1-ylacetamide
CID 51272460
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 86841993
3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 166276577
N-[3-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 87037168
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 47063106

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide (CID 33366231) is N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide is CN(C)C(=O)c1cccc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide?
The InChIKey is HMUFIGMBYUUFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17(2)14(20)11-5-3-6-12(9-11)16-13(19)10-18-8-4-7-15-18/h3-9H,10H2,1-2H3,(H,16,19).
What are the key properties of N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide?
N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide has a molecular weight of 272.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 33366231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).