2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide

C12H12IN3O — CID 113236904

IUPAC2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cccc(C)c1I
InChIInChI=1S/C12H12IN3O/c1-7-4-3-5-9(10(7)13)12(17)15-11-8(2)6-14-16-11/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyPCXQNEOKAPCKRU-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.88
Rot. Bonds2

About 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide

2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide (PubChem CID 113236904) has the molecular formula C12H12IN3O and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
PubChem CID113236904
Molecular FormulaC12H12IN3O
Molecular Weight341.15 g/mol
Exact Mass341.00
IUPAC Name2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cccc(C)c1I
InChIInChI=1S/C12H12IN3O/c1-7-4-3-5-9(10(7)13)12(17)15-11-8(2)6-14-16-11/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyPCXQNEOKAPCKRU-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 104619425
2-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115629960
3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 103990810
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 39718566
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
2-bromo-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 104620185
3-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 115680590
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide
CID 114029858
N-(4-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 115630183

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide (CID 113236904) is 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide is Cc1cn[nH]c1NC(=O)c1cccc(C)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is PCXQNEOKAPCKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O/c1-7-4-3-5-9(10(7)13)12(17)15-11-8(2)6-14-16-11/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 341.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 113236904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).