2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol

C18H36N2OSn — CID 67072722

IUPAC2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(C)(C)O)[nH]n1
InChIInChI=1S/C6H9N2O.3C4H9.Sn/c1-6(2,9)5-3-4-7-8-5;3*1-3-4-2;/h3,9H,1-2H3,(H,7,8);3*1,3-4H2,2H3;
InChIKeyMFNKTRQYUCXFEJ-UHFFFAOYSA-N
MW415.21 g/mol
LogP4.69
Rot. Bonds11

About 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol

2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol (PubChem CID 67072722) has the molecular formula C18H36N2OSn and a molecular weight of 415.21 g/mol. Its IUPAC name is 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol
PubChem CID67072722
Molecular FormulaC18H36N2OSn
Molecular Weight415.21 g/mol
Exact Mass416.18
IUPAC Name2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(C)(C)O)[nH]n1
InChIInChI=1S/C6H9N2O.3C4H9.Sn/c1-6(2,9)5-3-4-7-8-5;3*1-3-4-2;/h3,9H,1-2H3,(H,7,8);3*1,3-4H2,2H3;
InChIKeyMFNKTRQYUCXFEJ-UHFFFAOYSA-N
XLogP4.69
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.21
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol?
The IUPAC name of 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol (CID 67072722) is 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol is CCCC[Sn](CCCC)(CCCC)c1cc(C(C)(C)O)[nH]n1.
What is the InChIKey of 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol?
The InChIKey is MFNKTRQYUCXFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O.3C4H9.Sn/c1-6(2,9)5-3-4-7-8-5;3*1-3-4-2;/h3,9H,1-2H3,(H,7,8);3*1,3-4H2,2H3;.
What are the key properties of 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol?
2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol has a molecular weight of 415.21 g/mol, XLogP of 4.69, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tributylstannyl-1H-pyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 67072722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).