1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole

C10H13IN2 — CID 130494807

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole
SMILESIc1ccn(C2CC3CCC2C3)n1
InChIInChI=1S/C10H13IN2/c11-10-3-4-13(12-10)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2
InChIKeyURIUEKJUUUPHFN-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.85
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole

1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole (PubChem CID 130494807) 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)-3-iodopyrazole.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole
PubChem CID130494807
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole
SMILESIc1ccn(C2CC3CCC2C3)n1
InChIInChI=1S/C10H13IN2/c11-10-3-4-13(12-10)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2
InChIKeyURIUEKJUUUPHFN-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'}

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)pyrazol-3-amine
CID 130494319
1-(2-bicyclo[2.2.1]heptanyl)-4-iodopyrazole
CID 130494538
1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine
CID 130172835
4-(3-iodopyrazol-1-yl)cyclohexan-1-amine
CID 175241714
3-iodo-1-(oxetan-3-yl)pyrazole
CID 67342544
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole
CID 114246983
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 11906128
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 1296952
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-iodopyrazole
CID 134360989
1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
CID 69224518
1-[1-(2-bicyclo[2.2.1]heptanyl)triazol-4-yl]-2-methylpropan-1-amine
CID 114246237
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanamine
CID 64799167

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole (CID 130494807) is 1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole is Ic1ccn(C2CC3CCC2C3)n1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole?
The InChIKey is URIUEKJUUUPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2/c11-10-3-4-13(12-10)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole?
1-(2-bicyclo[2.2.1]heptanyl)-3-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)-3-iodopyrazole is sourced from PubChem (CID 130494807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).