3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole

C10H15IN2O — CID 171763261

IUPAC3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole
SMILESCCc1nn(C2CCCCO2)cc1I
InChIInChI=1S/C10H15IN2O/c1-2-9-8(11)7-13(12-9)10-5-3-4-6-14-10/h7,10H,2-6H2,1H3
InChIKeyFHSPDADJTUGVNK-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.75
Rot. Bonds2

About 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole

3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole (PubChem CID 171763261) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole
PubChem CID171763261
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole
SMILESCCc1nn(C2CCCCO2)cc1I
InChIInChI=1S/C10H15IN2O/c1-2-9-8(11)7-13(12-9)10-5-3-4-6-14-10/h7,10H,2-6H2,1H3
InChIKeyFHSPDADJTUGVNK-UHFFFAOYSA-N
XLogP2.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-iodo-1-(oxan-2-yl)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

3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126505510
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-ethyl-4-iodopyrazole
CID 67004423
4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3-ethyl-1-(oxan-2-yl)pyrazole
CID 89201384
4-fluoro-3-methyl-1-(oxan-2-yl)pyrazole
CID 164762772
3-bromo-1-(oxan-2-yl)pyrazol-4-amine
CID 130133317
3-methyl-1-[(2S)-oxan-2-yl]pyrazole-4-carboxylic acid
CID 129390500
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]methyl methanesulfonate
CID 154618936
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
3-deuterio-1-(oxan-2-yl)pyrazol-4-amine
CID 175855402
ethyl 1-(oxan-2-yl)-4-(trifluoromethyl)pyrazole-3-carboxylate
CID 156901509

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole?
The IUPAC name of 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole (CID 171763261) is 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole is CCc1nn(C2CCCCO2)cc1I.
What is the InChIKey of 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole?
The InChIKey is FHSPDADJTUGVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-2-9-8(11)7-13(12-9)10-5-3-4-6-14-10/h7,10H,2-6H2,1H3.
What are the key properties of 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole?
3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole has a molecular weight of 306.15 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 171763261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).