2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide

C17H17ClN4O — CID 24627356

IUPAC2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C17H17ClN4O/c1-11-4-5-12(2)22(11)13-6-7-15(18)14(10-13)17(23)19-16-8-9-21(3)20-16/h4-10H,1-3H3,(H,19,20,23)
InChIKeyBCBBSJJKUFIZBY-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.73
Rot. Bonds3

About 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide

2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 24627356) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID24627356
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C17H17ClN4O/c1-11-4-5-12(2)22(11)13-6-7-15(18)14(10-13)17(23)19-16-8-9-21(3)20-16/h4-10H,1-3H3,(H,19,20,23)
InChIKeyBCBBSJJKUFIZBY-UHFFFAOYSA-N
XLogP3.73
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 19405127
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955
6-chloro-2-methyl-N-(1-methylpyrazol-3-yl)pyrimidine-4-carboxamide
CID 75538764
5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 65307280
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 35335874
4-(3,5-dichlorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 24820920
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 61104250
5-amino-2-methyl-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 54917547
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 49017272
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide
CID 24580810
5-chloro-N-(1-methylpyrazol-3-yl)furan-2-carboxamide
CID 51237986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide (CID 24627356) is 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide is Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is BCBBSJJKUFIZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11-4-5-12(2)22(11)13-6-7-15(18)14(10-13)17(23)19-16-8-9-21(3)20-16/h4-10H,1-3H3,(H,19,20,23).
What are the key properties of 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide?
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 328.80 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 24627356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).