5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin

C19H34N2O2Sn — CID 141081798

IUPAC5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cc(C(=O)OCC)n[nH]1
InChIInChI=1S/C13H27.C6H7N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-10-6(9)5-3-4-7-8-5;/h4-12H2,1-3H3;3H,2H2,1H3,(H,7,8);
InChIKeyJTZXMDIGMPINOB-UHFFFAOYSA-N
MW441.20 g/mol
LogP4.65
Rot. Bonds13

About 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin

5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin (PubChem CID 141081798) has the molecular formula C19H34N2O2Sn and a molecular weight of 441.20 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin
PubChem CID141081798
Molecular FormulaC19H34N2O2Sn
Molecular Weight441.20 g/mol
Exact Mass442.16
IUPAC Name5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cc(C(=O)OCC)n[nH]1
InChIInChI=1S/C13H27.C6H7N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-10-6(9)5-3-4-7-8-5;/h4-12H2,1-3H3;3H,2H2,1H3,(H,7,8);
InChIKeyJTZXMDIGMPINOB-UHFFFAOYSA-N
XLogP4.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.20
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-pentadecyl-1H-pyrazole-3-carboxylate
CID 70581029
5-butylnonan-5-yl-(4-ethoxycarbonylphenyl)tin
CID 141056830
ethane;ethyl 5-bromo-1H-pyrazole-3-carboxylate
CID 169144775
acetylene;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 164570952
ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate
CID 11975148
ethyl 5-pentan-3-yl-1H-pyrazole-3-carboxylate
CID 71624416
ethyl 5-(3-bromopropyl)-1H-pyrazole-3-carboxylate
CID 54326047
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
CID 171800759
ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate
CID 150892596
ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate
CID 143252415
methyl 5-butyl-1H-pyrazole-3-carboxylate
CID 82634404
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin?
The IUPAC name of 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin (CID 141081798) is 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cc(C(=O)OCC)n[nH]1.
What is the InChIKey of 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin?
The InChIKey is JTZXMDIGMPINOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C6H7N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-10-6(9)5-3-4-7-8-5;/h4-12H2,1-3H3;3H,2H2,1H3,(H,7,8);.
What are the key properties of 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin?
5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin has a molecular weight of 441.20 g/mol, XLogP of 4.65, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin is sourced from PubChem (CID 141081798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).