5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole

C12H16FIN2 — CID 140678163

IUPAC5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(I)cc1C1C2CC(F)CC21
InChIInChI=1S/C12H16FIN2/c1-6(2)16-10(5-11(14)15-16)12-8-3-7(13)4-9(8)12/h5-9,12H,3-4H2,1-2H3
InChIKeyCJJKSNRBBLTDRN-UHFFFAOYSA-N
MW334.18 g/mol
LogP3.53
Rot. Bonds2

About 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole

5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole (PubChem CID 140678163) has the molecular formula C12H16FIN2 and a molecular weight of 334.18 g/mol. Its IUPAC name is 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole
PubChem CID140678163
Molecular FormulaC12H16FIN2
Molecular Weight334.18 g/mol
Exact Mass334.03
IUPAC Name5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(I)cc1C1C2CC(F)CC21
InChIInChI=1S/C12H16FIN2/c1-6(2)16-10(5-11(14)15-16)12-8-3-7(13)4-9(8)12/h5-9,12H,3-4H2,1-2H3
InChIKeyCJJKSNRBBLTDRN-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole 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

(1S,5R)-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane
CID 90292738
(1R,5S,6R)-6-(3-iodo-1-isopropyl-1H-pyrazol-5-yl)bicyclo[3.1.0]hexan-3-one
CID 118161707
1-(1-Fluoroethyl)-3-methyl-5-propan-2-ylpyrazole
CID 58030264
1,5-Di(propan-2-yl)-3-(trifluoromethyl)pyrazole
CID 58977184
5-Cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 68346085
5-Cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 69928539
1-(Cyclohexylmethyl)-5-methyl-3-(trifluoromethyl)pyrazole
CID 70919591
5-Cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 71204366
5-Cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 83382254
5-Cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 83382476
5-Cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
CID 90162039
5-Cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
CID 90162078

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole?
The IUPAC name of 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole (CID 140678163) is 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole is CC(C)n1nc(I)cc1C1C2CC(F)CC21.
What is the InChIKey of 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole?
The InChIKey is CJJKSNRBBLTDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FIN2/c1-6(2)16-10(5-11(14)15-16)12-8-3-7(13)4-9(8)12/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole?
5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole has a molecular weight of 334.18 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)-3-iodo-1-propan-2-ylpyrazole is sourced from PubChem (CID 140678163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).