(4-fluoro-1H-pyrazol-5-yl)-tripropylstannane

C12H23FN2Sn — CID 70982015

IUPAC(4-fluoro-1H-pyrazol-5-yl)-tripropylstannane
SMILESCCC[Sn](CCC)(CCC)c1[nH]ncc1F
InChIInChI=1S/C3H2FN2.3C3H7.Sn/c4-3-1-5-6-2-3;3*1-3-2;/h1H,(H,5,6);3*1,3H2,2H3;
InChIKeyJTAGXLPBENTINR-UHFFFAOYSA-N
MW333.04 g/mol
LogP3.43
Rot. Bonds7

About (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane

(4-fluoro-1H-pyrazol-5-yl)-tripropylstannane (PubChem CID 70982015) has the molecular formula C12H23FN2Sn and a molecular weight of 333.04 g/mol. Its IUPAC name is (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane.

Molecular Properties

Compound Name(4-fluoro-1H-pyrazol-5-yl)-tripropylstannane
PubChem CID70982015
Molecular FormulaC12H23FN2Sn
Molecular Weight333.04 g/mol
Exact Mass334.09
IUPAC Name(4-fluoro-1H-pyrazol-5-yl)-tripropylstannane
SMILESCCC[Sn](CCC)(CCC)c1[nH]ncc1F
InChIInChI=1S/C3H2FN2.3C3H7.Sn/c4-3-1-5-6-2-3;3*1-3-2;/h1H,(H,5,6);3*1,3H2,2H3;
InChIKeyJTAGXLPBENTINR-UHFFFAOYSA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.04
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane?
The IUPAC name of (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane (CID 70982015) is (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane.
What is the SMILES notation for (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane?
The canonical SMILES for (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane is CCC[Sn](CCC)(CCC)c1[nH]ncc1F.
What is the InChIKey of (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane?
The InChIKey is JTAGXLPBENTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FN2.3C3H7.Sn/c4-3-1-5-6-2-3;3*1-3-2;/h1H,(H,5,6);3*1,3H2,2H3;.
What are the key properties of (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane?
(4-fluoro-1H-pyrazol-5-yl)-tripropylstannane has a molecular weight of 333.04 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-pyrazol-5-yl)-tripropylstannane is sourced from PubChem (CID 70982015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).