(1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol

C10H12FIN4O — CID 178128988

IUPAC(1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C)nc2I)c(F)n1
InChIInChI=1S/C10H12FIN4O/c1-3-16-5-6(9(11)13-16)8(17)7-4-15(2)14-10(7)12/h4-5,8,17H,3H2,1-2H3
InChIKeyYNCJLIBEUKVOKR-UHFFFAOYSA-N
MW350.14 g/mol
LogP1.46
Rot. Bonds3

About (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol

(1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol (PubChem CID 178128988) has the molecular formula C10H12FIN4O and a molecular weight of 350.14 g/mol. Its IUPAC name is (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
PubChem CID178128988
Molecular FormulaC10H12FIN4O
Molecular Weight350.14 g/mol
Exact Mass350.00
IUPAC Name(1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C)nc2I)c(F)n1
InChIInChI=1S/C10H12FIN4O/c1-3-16-5-6(9(11)13-16)8(17)7-4-15(2)14-10(7)12/h4-5,8,17H,3H2,1-2H3
InChIKeyYNCJLIBEUKVOKR-UHFFFAOYSA-N
XLogP1.46
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol?
The IUPAC name of (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol (CID 178128988) is (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cn(C)nc2I)c(F)n1.
What is the InChIKey of (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol?
The InChIKey is YNCJLIBEUKVOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIN4O/c1-3-16-5-6(9(11)13-16)8(17)7-4-15(2)14-10(7)12/h4-5,8,17H,3H2,1-2H3.
What are the key properties of (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol?
(1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol has a molecular weight of 350.14 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-fluoropyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 178128988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).