4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C14H16IN3O — CID 79036409

IUPAC4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H16IN3O/c1-9-13(10(2)18(3)17-9)8-16-14(19)11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyVWPZZOZLMJGFHQ-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.57
Rot. Bonds3

About 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 79036409) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID79036409
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H16IN3O/c1-9-13(10(2)18(3)17-9)8-16-14(19)11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyVWPZZOZLMJGFHQ-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410
2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 103713370
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
5-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79038700
2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79237744
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
4-methoxy-N-[2-[[N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111952258
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 79036409) is 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CNC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is VWPZZOZLMJGFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-9-13(10(2)18(3)17-9)8-16-14(19)11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 369.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 79036409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).