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

C13H14IN3O — CID 113233988

IUPAC2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccccc2I)n[nH]1
InChIInChI=1S/C13H14IN3O/c1-2-5-9-8-12(17-16-9)15-13(18)10-6-3-4-7-11(10)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18)
InChIKeyLCHFUUOMQIAFNR-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.22
Rot. Bonds4

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

2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 113233988) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID113233988
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC Name2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccccc2I)n[nH]1
InChIInChI=1S/C13H14IN3O/c1-2-5-9-8-12(17-16-9)15-13(18)10-6-3-4-7-11(10)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18)
InChIKeyLCHFUUOMQIAFNR-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.22
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-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616207
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
2-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-4-carboxamide
CID 113257565
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 113235417
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 112690410

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 113233988) is 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2ccccc2I)n[nH]1.
What is the InChIKey of 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is LCHFUUOMQIAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-2-5-9-8-12(17-16-9)15-13(18)10-6-3-4-7-11(10)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 355.18 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 113233988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).