tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate

C22H43N3O2Sn — CID 155641247

IUPACtert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(N(C)C(=O)OC(C)(C)C)nn1C
InChIInChI=1S/C10H16N3O2.3C4H9.Sn/c1-10(2,3)15-9(14)13(5)8-6-7-12(4)11-8;3*1-3-4-2;/h6H,1-5H3;3*1,3-4H2,2H3;
InChIKeyKKGIFIPLHSKTLG-UHFFFAOYSA-N
MW500.32 g/mol
LogP5.85
Rot. Bonds11

About tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate

tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate (PubChem CID 155641247) has the molecular formula C22H43N3O2Sn and a molecular weight of 500.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate
PubChem CID155641247
Molecular FormulaC22H43N3O2Sn
Molecular Weight500.32 g/mol
Exact Mass501.24
IUPAC Nametert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(N(C)C(=O)OC(C)(C)C)nn1C
InChIInChI=1S/C10H16N3O2.3C4H9.Sn/c1-10(2,3)15-9(14)13(5)8-6-7-12(4)11-8;3*1-3-4-2;/h6H,1-5H3;3*1,3-4H2,2H3;
InChIKeyKKGIFIPLHSKTLG-UHFFFAOYSA-N
XLogP5.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.32
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[1-(2-methyl-5-tributylstannyltriazol-4-yl)ethyl]carbamate
CID 172615950
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
CID 59380135
tert-butyl N-(4-butoxy-2-chlorophenyl)-N-methylcarbamate
CID 89451863
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479
tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
CID 101072166
tert-butyl N-(5-chloro-4-prop-2-enyl-2-pyridinyl)-N-methylcarbamate
CID 176622810
tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate
CID 123197257
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)methyl]-N-methylcarbamate
CID 164902732
tert-butyl N-[3-(1-butylpiperidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540751
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate (CID 155641247) is tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1cc(N(C)C(=O)OC(C)(C)C)nn1C.
What is the InChIKey of tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate?
The InChIKey is KKGIFIPLHSKTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3O2.3C4H9.Sn/c1-10(2,3)15-9(14)13(5)8-6-7-12(4)11-8;3*1-3-4-2;/h6H,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate?
tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate has a molecular weight of 500.32 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate is sourced from PubChem (CID 155641247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).