methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate

C13H22GeN2O3 — CID 23268467

IUPACmethyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate
SMILESCC[Ge](CC)(CC)c1c(C(C)=O)n[nH]c1C(=O)OC
InChIInChI=1S/C13H22GeN2O3/c1-6-14(7-2,8-3)10-11(9(4)17)15-16-12(10)13(18)19-5/h6-8H2,1-5H3,(H,15,16)
InChIKeyZKHDCUIEGZKYEC-UHFFFAOYSA-N
MW326.94 g/mol
LogP2.11
Rot. Bonds6

About methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate

methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate (PubChem CID 23268467) has the molecular formula C13H22GeN2O3 and a molecular weight of 326.94 g/mol. Its IUPAC name is methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate
PubChem CID23268467
Molecular FormulaC13H22GeN2O3
Molecular Weight326.94 g/mol
Exact Mass328.08
IUPAC Namemethyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate
SMILESCC[Ge](CC)(CC)c1c(C(C)=O)n[nH]c1C(=O)OC
InChIInChI=1S/C13H22GeN2O3/c1-6-14(7-2,8-3)10-11(9(4)17)15-16-12(10)13(18)19-5/h6-8H2,1-5H3,(H,15,16)
InChIKeyZKHDCUIEGZKYEC-UHFFFAOYSA-N
XLogP2.11
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-methoxycarbonyl-1H-pyrazole-3-carboxylic acid
CID 83900307
dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
CID 1421248
methyl 4-chloro-5-propyl-1H-pyrazole-3-carboxylate
CID 62080110
methyl 4-chloro-5-(chloromethyl)-1H-pyrazole-3-carboxylate
CID 82395221
methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
CID 18526038
5-methoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998517
dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate
CID 5256064
dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate
CID 135926885
methyl 2H-benzo[g]indazole-3-carboxylate
CID 141005512
1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone
CID 82372744
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371
triethyl-[(5-methoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium
CID 20510900

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate (CID 23268467) is methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate is CC[Ge](CC)(CC)c1c(C(C)=O)n[nH]c1C(=O)OC.
What is the InChIKey of methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate?
The InChIKey is ZKHDCUIEGZKYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22GeN2O3/c1-6-14(7-2,8-3)10-11(9(4)17)15-16-12(10)13(18)19-5/h6-8H2,1-5H3,(H,15,16).
What are the key properties of methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate?
methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate has a molecular weight of 326.94 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-4-triethylgermyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 23268467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).