N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide

C14H18N4O — CID 43734492

IUPACN,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2cnn(C)c2)c1C
InChIInChI=1S/C14H18N4O/c1-10-12(14(19)15-2)5-4-6-13(10)16-7-11-8-17-18(3)9-11/h4-6,8-9,16H,7H2,1-3H3,(H,15,19)
InChIKeyVYGCVPILBHHXGG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.70
Rot. Bonds4

About N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide

N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide (PubChem CID 43734492) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
PubChem CID43734492
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2cnn(C)c2)c1C
InChIInChI=1S/C14H18N4O/c1-10-12(14(19)15-2)5-4-6-13(10)16-7-11-8-17-18(3)9-11/h4-6,8-9,16H,7H2,1-3H3,(H,15,19)
InChIKeyVYGCVPILBHHXGG-UHFFFAOYSA-N
XLogP1.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 54865176
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
3-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-yloxybenzoic acid
CID 166237731
N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131145
2-fluoro-6-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 79522275
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid
CID 82539391
N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66411550
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide (CID 43734492) is N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide is CNC(=O)c1cccc(NCc2cnn(C)c2)c1C.
What is the InChIKey of N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is VYGCVPILBHHXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-12(14(19)15-2)5-4-6-13(10)16-7-11-8-17-18(3)9-11/h4-6,8-9,16H,7H2,1-3H3,(H,15,19).
What are the key properties of N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide?
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 43734492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).