iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane

C8H12IN2OP — CID 155019605

IUPACiodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane
SMILESCc1c(COPI)nn2c1CCC2
InChIInChI=1S/C8H12IN2OP/c1-6-7(5-12-13-9)10-11-4-2-3-8(6)11/h13H,2-5H2,1H3
InChIKeyHMJKRXBHQKYGFS-UHFFFAOYSA-N
MW310.08 g/mol
LogP2.60
Rot. Bonds3

About iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane

iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane (PubChem CID 155019605) has the molecular formula C8H12IN2OP and a molecular weight of 310.08 g/mol. Its IUPAC name is iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane.

Molecular Properties

Compound Nameiodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane
PubChem CID155019605
Molecular FormulaC8H12IN2OP
Molecular Weight310.08 g/mol
Exact Mass309.97
IUPAC Nameiodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane
SMILESCc1c(COPI)nn2c1CCC2
InChIInChI=1S/C8H12IN2OP/c1-6-7(5-12-13-9)10-11-4-2-3-8(6)11/h13H,2-5H2,1H3
InChIKeyHMJKRXBHQKYGFS-UHFFFAOYSA-N
XLogP2.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.08
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane?
The IUPAC name of iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane (CID 155019605) is iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane.
What is the SMILES notation for iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane?
The canonical SMILES for iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane is Cc1c(COPI)nn2c1CCC2.
What is the InChIKey of iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane?
The InChIKey is HMJKRXBHQKYGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN2OP/c1-6-7(5-12-13-9)10-11-4-2-3-8(6)11/h13H,2-5H2,1H3.
What are the key properties of iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane?
iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane has a molecular weight of 310.08 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methoxy]phosphane is sourced from PubChem (CID 155019605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).