2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide

C13H15ClN4O — CID 54865176

IUPAC2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1cc(NCc2cnn(C)c2)ccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-15-13(19)11-5-10(3-4-12(11)14)16-6-9-7-17-18(2)8-9/h3-5,7-8,16H,6H2,1-2H3,(H,15,19)
InChIKeyHLNJNNGFBCOKBN-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.05
Rot. Bonds4

About 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide

2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide (PubChem CID 54865176) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
PubChem CID54865176
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1cc(NCc2cnn(C)c2)ccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-15-13(19)11-5-10(3-4-12(11)14)16-6-9-7-17-18(2)8-9/h3-5,7-8,16H,6H2,1-2H3,(H,15,19)
InChIKeyHLNJNNGFBCOKBN-UHFFFAOYSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 106936516
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 19624669
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
1-[2-amino-4-[(1-methylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 104528491
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide
CID 55109869
3-chloro-4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54864079
2-bromo-4-[(1-methylpyrazol-4-yl)methylamino]benzenecarbothioamide
CID 107277676
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
2,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide (CID 54865176) is 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide is CNC(=O)c1cc(NCc2cnn(C)c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is HLNJNNGFBCOKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-15-13(19)11-5-10(3-4-12(11)14)16-6-9-7-17-18(2)8-9/h3-5,7-8,16H,6H2,1-2H3,(H,15,19).
What are the key properties of 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide?
2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 278.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 54865176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).