N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide

C14H18N4O — CID 43725385

IUPACN,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NCc2cnn(C)c2)c1
InChIInChI=1S/C14H18N4O/c1-17(2)14(19)12-5-4-6-13(7-12)15-8-11-9-16-18(3)10-11/h4-7,9-10,15H,8H2,1-3H3
InChIKeyGOXLVURHQQHLJU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds4

About N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide

N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide (PubChem CID 43725385) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
PubChem CID43725385
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NCc2cnn(C)c2)c1
InChIInChI=1S/C14H18N4O/c1-17(2)14(19)12-5-4-6-13(7-12)15-8-11-9-16-18(3)10-11/h4-7,9-10,15H,8H2,1-3H3
InChIKeyGOXLVURHQQHLJU-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridine-2-carboxamide
CID 61348905
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756583
N-[(1-methylpyrazol-4-yl)methyl]-3-methylsulfonylaniline
CID 54861574
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 107685516
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
2-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 19624669

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide (CID 43725385) is N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide is CN(C)C(=O)c1cccc(NCc2cnn(C)c2)c1.
What is the InChIKey of N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is GOXLVURHQQHLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)14(19)12-5-4-6-13(7-12)15-8-11-9-16-18(3)10-11/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.73, 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-[(1-methylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 43725385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).