N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide

C7H8IN3O2 — CID 88585741

IUPACN-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide
SMILESCC(I)C(=O)Nc1cn[nH]c1C=O
InChIInChI=1S/C7H8IN3O2/c1-4(8)7(13)10-5-2-9-11-6(5)3-12/h2-4H,1H3,(H,9,11)(H,10,13)
InChIKeyYGWBVZGVVHHKDY-UHFFFAOYSA-N
MW293.06 g/mol
LogP0.98
Rot. Bonds3

About N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide

N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide (PubChem CID 88585741) has the molecular formula C7H8IN3O2 and a molecular weight of 293.06 g/mol. Its IUPAC name is N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide.

Molecular Properties

Compound NameN-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide
PubChem CID88585741
Molecular FormulaC7H8IN3O2
Molecular Weight293.06 g/mol
Exact Mass292.97
IUPAC NameN-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide
SMILESCC(I)C(=O)Nc1cn[nH]c1C=O
InChIInChI=1S/C7H8IN3O2/c1-4(8)7(13)10-5-2-9-11-6(5)3-12/h2-4H,1H3,(H,9,11)(H,10,13)
InChIKeyYGWBVZGVVHHKDY-UHFFFAOYSA-N
XLogP0.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide?
The IUPAC name of N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide (CID 88585741) is N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide.
What is the SMILES notation for N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide?
The canonical SMILES for N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide is CC(I)C(=O)Nc1cn[nH]c1C=O.
What is the InChIKey of N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide?
The InChIKey is YGWBVZGVVHHKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O2/c1-4(8)7(13)10-5-2-9-11-6(5)3-12/h2-4H,1H3,(H,9,11)(H,10,13).
What are the key properties of N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide?
N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide has a molecular weight of 293.06 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-1H-pyrazol-4-yl)-2-iodopropanamide is sourced from PubChem (CID 88585741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).