(3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol

C10H12ClIN4O — CID 164719478

IUPAC(3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C)nc2I)c(Cl)n1
InChIInChI=1S/C10H12ClIN4O/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
InChIKeyNWDLEUVRDFISDM-UHFFFAOYSA-N
MW366.59 g/mol
LogP1.98
Rot. Bonds3

About (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol

(3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol (PubChem CID 164719478) has the molecular formula C10H12ClIN4O and a molecular weight of 366.59 g/mol. Its IUPAC name is (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
PubChem CID164719478
Molecular FormulaC10H12ClIN4O
Molecular Weight366.59 g/mol
Exact Mass365.97
IUPAC Name(3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C)nc2I)c(Cl)n1
InChIInChI=1S/C10H12ClIN4O/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
InChIKeyNWDLEUVRDFISDM-UHFFFAOYSA-N
XLogP1.98
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 51.98
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 (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol (CID 164719478) is (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cn(C)nc2I)c(Cl)n1.
What is the InChIKey of (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol?
The InChIKey is NWDLEUVRDFISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN4O/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 (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol?
(3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol has a molecular weight of 366.59 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 164719478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).