N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide

C11H16IN3O — CID 713201

IUPACN-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NC1CCCCC1
InChIInChI=1S/C11H16IN3O/c1-15-10(9(12)7-13-15)11(16)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,16)
InChIKeyOMWIAMRWVUQBME-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.09
Rot. Bonds2

About N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide

N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide (PubChem CID 713201) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
PubChem CID713201
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC NameN-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NC1CCCCC1
InChIInChI=1S/C11H16IN3O/c1-15-10(9(12)7-13-15)11(16)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,16)
InChIKeyOMWIAMRWVUQBME-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide (CID 713201) is N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide is Cn1ncc(I)c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide?
The InChIKey is OMWIAMRWVUQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-15-10(9(12)7-13-15)11(16)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,16).
What are the key properties of N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide?
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide has a molecular weight of 333.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 713201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).