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

C10H8IN3O — CID 61393108

IUPAC2-iodo-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccccc1I
InChIInChI=1S/C10H8IN3O/c11-8-4-2-1-3-7(8)10(15)13-9-5-6-12-14-9/h1-6H,(H2,12,13,14,15)
InChIKeyXYIJOFUJYQANLP-UHFFFAOYSA-N
MW313.10 g/mol
LogP2.27
Rot. Bonds2

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

2-iodo-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 61393108) has the molecular formula C10H8IN3O and a molecular weight of 313.10 g/mol. Its IUPAC name is 2-iodo-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(1H-pyrazol-5-yl)benzamide
PubChem CID61393108
Molecular FormulaC10H8IN3O
Molecular Weight313.10 g/mol
Exact Mass312.97
IUPAC Name2-iodo-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccccc1I
InChIInChI=1S/C10H8IN3O/c11-8-4-2-1-3-7(8)10(15)13-9-5-6-12-14-9/h1-6H,(H2,12,13,14,15)
InChIKeyXYIJOFUJYQANLP-UHFFFAOYSA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 52.27
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

N-(1H-pyrazol-5-yl)benzamide
CID 23298723
2-hydroxy-5-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 103710669
2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393579
5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61394014
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 79885826
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
N-(4-chloro-3-pyridinyl)-2-iodobenzamide
CID 78965019
N-(1H-pyrazol-5-yl)naphthalene-2-carboxamide
CID 61393106
2-[(2-iodobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 30335086
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-iodo-N-(1H-pyrazol-5-yl)benzamide (CID 61393108) is 2-iodo-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-iodo-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is XYIJOFUJYQANLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O/c11-8-4-2-1-3-7(8)10(15)13-9-5-6-12-14-9/h1-6H,(H2,12,13,14,15).
What are the key properties of 2-iodo-N-(1H-pyrazol-5-yl)benzamide?
2-iodo-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 313.10 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 61393108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).