(3-tributylstannyl-1H-pyrazol-5-yl)methanol

C16H32N2OSn — CID 59511207

IUPAC(3-tributylstannyl-1H-pyrazol-5-yl)methanol
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CO)[nH]n1
InChIInChI=1S/C4H5N2O.3C4H9.Sn/c7-3-4-1-2-5-6-4;3*1-3-4-2;/h1,7H,3H2,(H,5,6);3*1,3-4H2,2H3;
InChIKeyLOTHUPGGRXGRNC-UHFFFAOYSA-N
MW387.16 g/mol
LogP3.96
Rot. Bonds11

About (3-tributylstannyl-1H-pyrazol-5-yl)methanol

(3-tributylstannyl-1H-pyrazol-5-yl)methanol (PubChem CID 59511207) has the molecular formula C16H32N2OSn and a molecular weight of 387.16 g/mol. Its IUPAC name is (3-tributylstannyl-1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-tributylstannyl-1H-pyrazol-5-yl)methanol
PubChem CID59511207
Molecular FormulaC16H32N2OSn
Molecular Weight387.16 g/mol
Exact Mass388.15
IUPAC Name(3-tributylstannyl-1H-pyrazol-5-yl)methanol
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CO)[nH]n1
InChIInChI=1S/C4H5N2O.3C4H9.Sn/c7-3-4-1-2-5-6-4;3*1-3-4-2;/h1,7H,3H2,(H,5,6);3*1,3-4H2,2H3;
InChIKeyLOTHUPGGRXGRNC-UHFFFAOYSA-N
XLogP3.96
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.16
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3-tributylstannyl-1H-pyrazol-5-yl)methanol 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 (3-tributylstannyl-1H-pyrazol-5-yl)methanol?
The IUPAC name of (3-tributylstannyl-1H-pyrazol-5-yl)methanol (CID 59511207) is (3-tributylstannyl-1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (3-tributylstannyl-1H-pyrazol-5-yl)methanol?
The canonical SMILES for (3-tributylstannyl-1H-pyrazol-5-yl)methanol is CCCC[Sn](CCCC)(CCCC)c1cc(CO)[nH]n1.
What is the InChIKey of (3-tributylstannyl-1H-pyrazol-5-yl)methanol?
The InChIKey is LOTHUPGGRXGRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O.3C4H9.Sn/c7-3-4-1-2-5-6-4;3*1-3-4-2;/h1,7H,3H2,(H,5,6);3*1,3-4H2,2H3;.
What are the key properties of (3-tributylstannyl-1H-pyrazol-5-yl)methanol?
(3-tributylstannyl-1H-pyrazol-5-yl)methanol has a molecular weight of 387.16 g/mol, XLogP of 3.96, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tributylstannyl-1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 59511207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).