3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol

C20H40N2OSn — CID 68693600

IUPAC3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(O)(CC)CC)[nH]n1
InChIInChI=1S/C8H13N2O.3C4H9.Sn/c1-3-8(11,4-2)7-5-6-9-10-7;3*1-3-4-2;/h5,11H,3-4H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;
InChIKeySVAGZZGIIMIYOM-UHFFFAOYSA-N
MW443.26 g/mol
LogP5.47
Rot. Bonds13

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

3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol (PubChem CID 68693600) has the molecular formula C20H40N2OSn and a molecular weight of 443.26 g/mol. Its IUPAC name is 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol
PubChem CID68693600
Molecular FormulaC20H40N2OSn
Molecular Weight443.26 g/mol
Exact Mass444.22
IUPAC Name3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(O)(CC)CC)[nH]n1
InChIInChI=1S/C8H13N2O.3C4H9.Sn/c1-3-8(11,4-2)7-5-6-9-10-7;3*1-3-4-2;/h5,11H,3-4H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;
InChIKeySVAGZZGIIMIYOM-UHFFFAOYSA-N
XLogP5.47
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.26
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol?
The IUPAC name of 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol (CID 68693600) is 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol.
What is the SMILES notation for 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol?
The canonical SMILES for 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol is CCCC[Sn](CCCC)(CCCC)c1cc(C(O)(CC)CC)[nH]n1.
What is the InChIKey of 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol?
The InChIKey is SVAGZZGIIMIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O.3C4H9.Sn/c1-3-8(11,4-2)7-5-6-9-10-7;3*1-3-4-2;/h5,11H,3-4H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;.
What are the key properties of 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol?
3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol has a molecular weight of 443.26 g/mol, XLogP of 5.47, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tributylstannyl-1H-pyrazol-5-yl)pentan-3-ol is sourced from PubChem (CID 68693600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).