N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide

C10H14IN3O — CID 903107

IUPACN-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C10H14IN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyXBTAIFSSMOXOSF-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.70
Rot. Bonds2

About N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide

N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 903107) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID903107
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC NameN-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C10H14IN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyXBTAIFSSMOXOSF-UHFFFAOYSA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide (CID 903107) is N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is XBTAIFSSMOXOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15).
What are the key properties of N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide?
N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 319.15 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 903107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).