4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide

C11H10IN3O — CID 47204233

IUPAC4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(I)cc1
InChIInChI=1S/C11H10IN3O/c12-9-3-1-8(2-4-9)11(16)13-7-10-5-6-14-15-10/h1-6H,7H2,(H,13,16)(H,14,15)
InChIKeyFRDUJEKIBYCULA-UHFFFAOYSA-N
MW327.13 g/mol
LogP1.94
Rot. Bonds3

About 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide

4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 47204233) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID47204233
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(I)cc1
InChIInChI=1S/C11H10IN3O/c12-9-3-1-8(2-4-9)11(16)13-7-10-5-6-14-15-10/h1-6H,7H2,(H,13,16)(H,14,15)
InChIKeyFRDUJEKIBYCULA-UHFFFAOYSA-N
XLogP1.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 51.94
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

4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 137435463
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
2,3,5-triiodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 63404576
N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 47285769
2-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 103764061
3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 103706824
6-(dimethylamino)-N-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxamide
CID 47351026
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513
4-bromo-3-nitro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61283343
2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114344962
3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61284863

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 47204233) is 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide is O=C(NCc1ccn[nH]1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is FRDUJEKIBYCULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c12-9-3-1-8(2-4-9)11(16)13-7-10-5-6-14-15-10/h1-6H,7H2,(H,13,16)(H,14,15).
What are the key properties of 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide?
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 327.13 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 47204233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).