N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide

C9H14IN3O2 — CID 19549890

IUPACN-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCCO)cc1I
InChIInChI=1S/C9H14IN3O2/c1-7-8(10)6-13(12-7)4-2-9(15)11-3-5-14/h6,14H,2-5H2,1H3,(H,11,15)
InChIKeyANBNSFZAXXGWIE-UHFFFAOYSA-N
MW323.13 g/mol
LogP0.29
Rot. Bonds5

About N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide

N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide (PubChem CID 19549890) has the molecular formula C9H14IN3O2 and a molecular weight of 323.13 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
PubChem CID19549890
Molecular FormulaC9H14IN3O2
Molecular Weight323.13 g/mol
Exact Mass323.01
IUPAC NameN-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCCO)cc1I
InChIInChI=1S/C9H14IN3O2/c1-7-8(10)6-13(12-7)4-2-9(15)11-3-5-14/h6,14H,2-5H2,1H3,(H,11,15)
InChIKeyANBNSFZAXXGWIE-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide (CID 19549890) is N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)NCCO)cc1I.
What is the InChIKey of N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide?
The InChIKey is ANBNSFZAXXGWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O2/c1-7-8(10)6-13(12-7)4-2-9(15)11-3-5-14/h6,14H,2-5H2,1H3,(H,11,15).
What are the key properties of N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide?
N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide has a molecular weight of 323.13 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19549890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).