ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide

C15H22N4O6S — CID 165077659

IUPACethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide
SMILESCCCn1nccc1C(=O)OCC.CCOC(=O)c1ccn[nH]1.O=S=O
InChIInChI=1S/C9H14N2O2.C6H8N2O2.O2S/c1-3-7-11-8(5-6-10-11)9(12)13-4-2;1-2-10-6(9)5-3-4-7-8-5;1-3-2/h5-6H,3-4,7H2,1-2H3;3-4H,2H2,1H3,(H,7,8);
InChIKeyUOWSDFFIKZQYBH-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.39
Rot. Bonds6

About ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide

ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide (PubChem CID 165077659) has the molecular formula C15H22N4O6S and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide.

Molecular Properties

Compound Nameethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide
PubChem CID165077659
Molecular FormulaC15H22N4O6S
Molecular Weight386.43 g/mol
Exact Mass386.13
IUPAC Nameethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide
SMILESCCCn1nccc1C(=O)OCC.CCOC(=O)c1ccn[nH]1.O=S=O
InChIInChI=1S/C9H14N2O2.C6H8N2O2.O2S/c1-3-7-11-8(5-6-10-11)9(12)13-4-2;1-2-10-6(9)5-3-4-7-8-5;1-3-2/h5-6H,3-4,7H2,1-2H3;3-4H,2H2,1H3,(H,7,8);
InChIKeyUOWSDFFIKZQYBH-UHFFFAOYSA-N
XLogP1.39
TPSA133.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
CID 155487137
ethyl 2-(fluoromethyl)pyrazole-3-carboxylate
CID 140995866
2-propylpyrazole-3-carboxylic acid
CID 7017775
ethyl 4-iodo-1H-pyrazole-5-carboxylate;ethyl 1H-pyrazole-5-carboxylate
CID 158711948
ethyl 2-(1-cyanoethyl)pyrazole-3-carboxylate;ethyl 1-(1-isocyanoethyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate
CID 165036335
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
ethyl 2-tert-butylpyrazole-3-carboxylate
CID 56956209
ethyl 2-[3-(oxan-2-yloxy)propyl]pyrazole-3-carboxylate
CID 166889045
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116707677
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone
CID 66064578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide?
The IUPAC name of ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide (CID 165077659) is ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide.
What is the SMILES notation for ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide?
The canonical SMILES for ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide is CCCn1nccc1C(=O)OCC.CCOC(=O)c1ccn[nH]1.O=S=O.
What is the InChIKey of ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide?
The InChIKey is UOWSDFFIKZQYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C6H8N2O2.O2S/c1-3-7-11-8(5-6-10-11)9(12)13-4-2;1-2-10-6(9)5-3-4-7-8-5;1-3-2/h5-6H,3-4,7H2,1-2H3;3-4H,2H2,1H3,(H,7,8);.
What are the key properties of ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide?
ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide has a molecular weight of 386.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide is sourced from PubChem (CID 165077659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).