4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide

C9H13IN4O2 — CID 4767546

IUPAC4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NN1CCOCC1
InChIInChI=1S/C9H13IN4O2/c1-13-8(7(10)6-11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15)
InChIKeyZQIWMGXTUGGMJY-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.00
Rot. Bonds2

About 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide

4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide (PubChem CID 4767546) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
PubChem CID4767546
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NN1CCOCC1
InChIInChI=1S/C9H13IN4O2/c1-13-8(7(10)6-11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15)
InChIKeyZQIWMGXTUGGMJY-UHFFFAOYSA-N
XLogP0.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide (CID 4767546) is 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide is Cn1ncc(I)c1C(=O)NN1CCOCC1.
What is the InChIKey of 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The InChIKey is ZQIWMGXTUGGMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c1-13-8(7(10)6-11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide has a molecular weight of 336.13 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 4767546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).