4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole

C10H14BrIN2O — CID 79784222

IUPAC4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole
SMILESBrc1cn(CCCC2CCCO2)nc1I
InChIInChI=1S/C10H14BrIN2O/c11-9-7-14(13-10(9)12)5-1-3-8-4-2-6-15-8/h7-8H,1-6H2
InChIKeyQRKKPKOCLJKKAR-UHFFFAOYSA-N
MW385.04 g/mol
LogP3.21
Rot. Bonds4

About 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole

4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole (PubChem CID 79784222) has the molecular formula C10H14BrIN2O and a molecular weight of 385.04 g/mol. Its IUPAC name is 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole.

Molecular Properties

Compound Name4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole
PubChem CID79784222
Molecular FormulaC10H14BrIN2O
Molecular Weight385.04 g/mol
Exact Mass383.93
IUPAC Name4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole
SMILESBrc1cn(CCCC2CCCO2)nc1I
InChIInChI=1S/C10H14BrIN2O/c11-9-7-14(13-10(9)12)5-1-3-8-4-2-6-15-8/h7-8H,1-6H2
InChIKeyQRKKPKOCLJKKAR-UHFFFAOYSA-N
XLogP3.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.04
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
4-chloro-3-nitro-1-[3-(oxolan-2-yl)propyl]pyrazole
CID 65165824
1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
CID 65162534
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430
N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65165245
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
CID 116626772
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798
N-methyl-1-[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165187
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
2-(3-bromopropyl)oxolane
CID 15783712

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole?
The IUPAC name of 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole (CID 79784222) is 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole.
What is the SMILES notation for 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole?
The canonical SMILES for 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole is Brc1cn(CCCC2CCCO2)nc1I.
What is the InChIKey of 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole?
The InChIKey is QRKKPKOCLJKKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrIN2O/c11-9-7-14(13-10(9)12)5-1-3-8-4-2-6-15-8/h7-8H,1-6H2.
What are the key properties of 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole?
4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole has a molecular weight of 385.04 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole is sourced from PubChem (CID 79784222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).