1-(cyclohexylmethyl)-4-iodopyrazole

C10H15IN2 — CID 22730685

IUPAC1-(cyclohexylmethyl)-4-iodopyrazole
SMILESIc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C10H15IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKeyDLPZETVHRWDQFK-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.07
Rot. Bonds2

About 1-(cyclohexylmethyl)-4-iodopyrazole

1-(cyclohexylmethyl)-4-iodopyrazole (PubChem CID 22730685) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-iodopyrazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-iodopyrazole
PubChem CID22730685
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Name1-(cyclohexylmethyl)-4-iodopyrazole
SMILESIc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C10H15IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKeyDLPZETVHRWDQFK-UHFFFAOYSA-N
XLogP3.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-iodopyrazole?
The IUPAC name of 1-(cyclohexylmethyl)-4-iodopyrazole (CID 22730685) is 1-(cyclohexylmethyl)-4-iodopyrazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-iodopyrazole?
The canonical SMILES for 1-(cyclohexylmethyl)-4-iodopyrazole is Ic1cnn(CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-iodopyrazole?
The InChIKey is DLPZETVHRWDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2.
What are the key properties of 1-(cyclohexylmethyl)-4-iodopyrazole?
1-(cyclohexylmethyl)-4-iodopyrazole has a molecular weight of 290.15 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-iodopyrazole is sourced from PubChem (CID 22730685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).