2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide

C13H15ClN4O — CID 83086550

IUPAC2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
SMILESCc1nn(C)cc1CNc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H15ClN4O/c1-8-9(7-18(2)17-8)6-16-10-3-4-12(14)11(5-10)13(15)19/h3-5,7,16H,6H2,1-2H3,(H2,15,19)
InChIKeyRZJBNRQTJJRSFG-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.09
Rot. Bonds4

About 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide

2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide (PubChem CID 83086550) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
PubChem CID83086550
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
SMILESCc1nn(C)cc1CNc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H15ClN4O/c1-8-9(7-18(2)17-8)6-16-10-3-4-12(14)11(5-10)13(15)19/h3-5,7,16H,6H2,1-2H3,(H2,15,19)
InChIKeyRZJBNRQTJJRSFG-UHFFFAOYSA-N
XLogP2.09
TPSA72.94 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 83089965
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83085930
2-bromo-4-[(1,3-dimethylpyrazol-4-yl)methylamino]benzenecarbothioamide
CID 107278051
3-chloro-4-[(1,3-dimethylpyrazol-4-yl)methylamino]benzenecarbothioamide
CID 112669866
2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide
CID 102670907
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 43780079
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 83090137
5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
CID 83088804
2-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112668286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide (CID 83086550) is 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide is Cc1nn(C)cc1CNc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is RZJBNRQTJJRSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-9(7-18(2)17-8)6-16-10-3-4-12(14)11(5-10)13(15)19/h3-5,7,16H,6H2,1-2H3,(H2,15,19).
What are the key properties of 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide?
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 278.74 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 83086550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).