ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate

C13H20N2O4 — CID 124573694

IUPACethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1COC[C@@H]1CCCO1
InChIInChI=1S/C13H20N2O4/c1-3-18-13(16)11-7-14-15(2)12(11)9-17-8-10-5-4-6-19-10/h7,10H,3-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyUUXSKTOBSFWGQM-JTQLQIEISA-N
MW268.31 g/mol
LogP1.29
Rot. Bonds6

About ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate (PubChem CID 124573694) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate
PubChem CID124573694
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1COC[C@@H]1CCCO1
InChIInChI=1S/C13H20N2O4/c1-3-18-13(16)11-7-14-15(2)12(11)9-17-8-10-5-4-6-19-10/h7,10H,3-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyUUXSKTOBSFWGQM-JTQLQIEISA-N
XLogP1.29
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-methyl-5-(oxolan-2-ylmethylsulfonylmethyl)pyrazole-4-carboxylate
CID 106493651
ethyl 1-methyl-5-[(oxan-2-ylmethylamino)methyl]pyrazole-4-carboxylate
CID 116631011
ethyl 5-(butoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629704
ethyl 5-(2-butoxyethoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629640
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
ethyl 1-methyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)pyrazole-4-carboxylate
CID 116629808
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631754
ethyl 1-methyl-5-[[(1-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylate
CID 116631047
ethyl 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631475
ethyl 5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116632162
ethyl 1-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574199

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate (CID 124573694) is ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1COC[C@@H]1CCCO1.
What is the InChIKey of ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate?
The InChIKey is UUXSKTOBSFWGQM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-18-13(16)11-7-14-15(2)12(11)9-17-8-10-5-4-6-19-10/h7,10H,3-6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[[(2S)-oxolan-2-yl]methoxymethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 124573694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).