1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole

C10H13IN2 — CID 130494538

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole
SMILESIc1cnn(C2CC3CCC2C3)c1
InChIInChI=1S/C10H13IN2/c11-9-5-12-13(6-9)10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2
InChIKeyHETYLBCSEOURAD-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.85
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole

1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole (PubChem CID 130494538) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole
PubChem CID130494538
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole
SMILESIc1cnn(C2CC3CCC2C3)c1
InChIInChI=1S/C10H13IN2/c11-9-5-12-13(6-9)10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2
InChIKeyHETYLBCSEOURAD-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine
CID 130172835
1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole
CID 130494807
3-(4-iodopyrazol-1-yl)cyclopentan-1-ol
CID 155120651
1-(2-bicyclo[2.2.1]heptanyl)pyrazol-3-amine
CID 130494319
1-[1-(2-bicyclo[2.2.1]heptanyl)triazol-4-yl]-2-methylpropan-1-amine
CID 114246237
3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid
CID 66867994
1-(1,4-dioxan-2-yl)-4-iodopyrazole
CID 175372742
2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane
CID 118518407
1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
CID 69224518
1-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)triazole
CID 130566555
5-bromo-1-cyclobutyl-4-iodopyrazole;1-cyclobutyl-4-iodopyrazole;tetrabromomethane
CID 165049120
tert-butyl 5-(4-iodopyrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 77248319

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole (CID 130494538) is 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole is Ic1cnn(C2CC3CCC2C3)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole?
The InChIKey is HETYLBCSEOURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2/c11-9-5-12-13(6-9)10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole?
1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole has a molecular weight of 288.13 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole is sourced from PubChem (CID 130494538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).