3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole

C14H23IN2O — CID 82702481

IUPAC3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole
SMILESCCc1nn(C2CCCC(OC)C2)c(CC)c1I
InChIInChI=1S/C14H23IN2O/c1-4-12-14(15)13(5-2)17(16-12)10-7-6-8-11(9-10)18-3/h10-11H,4-9H2,1-3H3
InChIKeyLVYKMTRWZHOLOQ-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.74
Rot. Bonds4

About 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole

3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole (PubChem CID 82702481) has the molecular formula C14H23IN2O and a molecular weight of 362.26 g/mol. Its IUPAC name is 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole.

Molecular Properties

Compound Name3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole
PubChem CID82702481
Molecular FormulaC14H23IN2O
Molecular Weight362.26 g/mol
Exact Mass362.09
IUPAC Name3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole
SMILESCCc1nn(C2CCCC(OC)C2)c(CC)c1I
InChIInChI=1S/C14H23IN2O/c1-4-12-14(15)13(5-2)17(16-12)10-7-6-8-11(9-10)18-3/h10-11H,4-9H2,1-3H3
InChIKeyLVYKMTRWZHOLOQ-UHFFFAOYSA-N
XLogP3.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole 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

trans-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)cyclohexanol
CID 67003959
1-(3-Methoxycyclohexyl)-3,5-dimethylpyrazol-4-amine
CID 64093783
1-[1-(3-methoxycyclohexyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 64104245
1-[1-(3-methoxycyclohexyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 64104458
N-ethyl-1-[1-(3-methoxycyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 64104459
[1-(3-Methoxycyclohexyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 64105920
1-[1-(3-methoxycyclohexyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 64105921
4-(1-Chloropropyl)-1-(3-methoxycyclohexyl)-3,5-dimethylpyrazole
CID 64105936
N-[[1-(3-methoxycyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64106137
2-[1-(3-Methoxycyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 64106154
1-[1-(3-Methoxycyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-2-amine
CID 64106155
4-Bromo-1-(3-methoxycyclohexyl)-3,5-dimethylpyrazole
CID 64106363

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole?
The IUPAC name of 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole (CID 82702481) is 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole.
What is the SMILES notation for 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole?
The canonical SMILES for 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole is CCc1nn(C2CCCC(OC)C2)c(CC)c1I.
What is the InChIKey of 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole?
The InChIKey is LVYKMTRWZHOLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN2O/c1-4-12-14(15)13(5-2)17(16-12)10-7-6-8-11(9-10)18-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole?
3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole has a molecular weight of 362.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole is sourced from PubChem (CID 82702481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).