5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide

C12H13ClN4O — CID 62173538

IUPAC5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1ccnn1C
InChIInChI=1S/C12H13ClN4O/c1-14-10-4-3-8(13)7-9(10)12(18)16-11-5-6-15-17(11)2/h3-7,14H,1-2H3,(H,16,18)
InChIKeySQQRBXBIUODDTF-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.37
Rot. Bonds3

About 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide

5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 62173538) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID62173538
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1ccnn1C
InChIInChI=1S/C12H13ClN4O/c1-14-10-4-3-8(13)7-9(10)12(18)16-11-5-6-15-17(11)2/h3-7,14H,1-2H3,(H,16,18)
InChIKeySQQRBXBIUODDTF-UHFFFAOYSA-N
XLogP2.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
4-chloro-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81226455
5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide
CID 114389340
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
CID 106049975
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
N-(2,5-dimethylpyrazol-3-yl)-5-methyl-2-(methylamino)benzamide
CID 55083084
5-chloro-N-(2-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 107257615
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
CID 81005079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide (CID 62173538) is 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide is CNc1ccc(Cl)cc1C(=O)Nc1ccnn1C.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is SQQRBXBIUODDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-14-10-4-3-8(13)7-9(10)12(18)16-11-5-6-15-17(11)2/h3-7,14H,1-2H3,(H,16,18).
What are the key properties of 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide?
5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 264.72 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 62173538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).