methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate

C13H17N3O3 — CID 55026629

IUPACmethyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2ccnn2C)oc1C
InChIInChI=1S/C13H17N3O3/c1-9-12(13(17)18-3)6-11(19-9)8-14-7-10-4-5-15-16(10)2/h4-6,14H,7-8H2,1-3H3
InChIKeyPEPNLUSJPZGPFM-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.40
Rot. Bonds5

About methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate (PubChem CID 55026629) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate
PubChem CID55026629
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2ccnn2C)oc1C
InChIInChI=1S/C13H17N3O3/c1-9-12(13(17)18-3)6-11(19-9)8-14-7-10-4-5-15-16(10)2/h4-6,14H,7-8H2,1-3H3
InChIKeyPEPNLUSJPZGPFM-UHFFFAOYSA-N
XLogP1.40
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate
CID 63302632
methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate
CID 60902691
methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60761601
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 115278913
methyl 5-[[2-(azepan-1-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 60752171
methyl 5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 63794276
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 5-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 43219136
methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 43231477
methyl 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 113472111

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate (CID 55026629) is methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNCc2ccnn2C)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate?
The InChIKey is PEPNLUSJPZGPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-12(13(17)18-3)6-11(19-9)8-14-7-10-4-5-15-16(10)2/h4-6,14H,7-8H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 55026629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).