1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol

C8H11F2IN2O — CID 170247527

IUPAC1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(I)c(C(F)F)n1
InChIInChI=1S/C8H11F2IN2O/c1-8(2,14)4-13-3-5(11)6(12-13)7(9)10/h3,7,14H,4H2,1-2H3
InChIKeyDNPNYSPZNARECK-UHFFFAOYSA-N
MW316.09 g/mol
LogP2.20
Rot. Bonds3

About 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol

1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 170247527) has the molecular formula C8H11F2IN2O and a molecular weight of 316.09 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID170247527
Molecular FormulaC8H11F2IN2O
Molecular Weight316.09 g/mol
Exact Mass315.99
IUPAC Name1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(I)c(C(F)F)n1
InChIInChI=1S/C8H11F2IN2O/c1-8(2,14)4-13-3-5(11)6(12-13)7(9)10/h3,7,14H,4H2,1-2H3
InChIKeyDNPNYSPZNARECK-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol (CID 170247527) is 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(I)c(C(F)F)n1.
What is the InChIKey of 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is DNPNYSPZNARECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2IN2O/c1-8(2,14)4-13-3-5(11)6(12-13)7(9)10/h3,7,14H,4H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol?
1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 316.09 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 170247527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).