(1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol

C11H15IN4O — CID 164718644

IUPAC(1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2c(I)nn(C)c2C)cn1
InChIInChI=1S/C11H15IN4O/c1-4-16-6-8(5-13-16)10(17)9-7(2)15(3)14-11(9)12/h5-6,10,17H,4H2,1-3H3
InChIKeyJHPBGWKXECLWMQ-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.63
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol

(1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol (PubChem CID 164718644) has the molecular formula C11H15IN4O and a molecular weight of 346.17 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol
PubChem CID164718644
Molecular FormulaC11H15IN4O
Molecular Weight346.17 g/mol
Exact Mass346.03
IUPAC Name(1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2c(I)nn(C)c2C)cn1
InChIInChI=1S/C11H15IN4O/c1-4-16-6-8(5-13-16)10(17)9-7(2)15(3)14-11(9)12/h5-6,10,17H,4H2,1-3H3
InChIKeyJHPBGWKXECLWMQ-UHFFFAOYSA-N
XLogP1.63
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.63
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-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol (CID 164718644) is (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2c(I)nn(C)c2C)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol?
The InChIKey is JHPBGWKXECLWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O/c1-4-16-6-8(5-13-16)10(17)9-7(2)15(3)14-11(9)12/h5-6,10,17H,4H2,1-3H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol?
(1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol has a molecular weight of 346.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(3-iodo-1,5-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 164718644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).