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

C14H16IN3O2 — CID 103713370

IUPAC2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C14H16IN3O2/c1-8-12(9(2)18(3)17-8)7-16-14(20)11-6-10(15)4-5-13(11)19/h4-6,19H,7H2,1-3H3,(H,16,20)
InChIKeyZHCSYFMBOSEBOA-UHFFFAOYSA-N
MW385.21 g/mol
LogP2.28
Rot. Bonds3

About 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 103713370) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID103713370
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C14H16IN3O2/c1-8-12(9(2)18(3)17-8)7-16-14(20)11-6-10(15)4-5-13(11)19/h4-6,19H,7H2,1-3H3,(H,16,20)
InChIKeyZHCSYFMBOSEBOA-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103877808
2-hydroxy-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 86816344
2-amino-4-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79225523
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410
5-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79038700
3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 115930594
3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79231656
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 103713370) is 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CNC(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is ZHCSYFMBOSEBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O2/c1-8-12(9(2)18(3)17-8)7-16-14(20)11-6-10(15)4-5-13(11)19/h4-6,19H,7H2,1-3H3,(H,16,20).
What are the key properties of 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 385.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 103713370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).