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

C12H15N3O3 — CID 63302632

IUPACmethyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCc2ccnn2C)o1
InChIInChI=1S/C12H15N3O3/c1-15-9(5-6-14-15)7-13-8-10-3-4-11(18-10)12(16)17-2/h3-6,13H,7-8H2,1-2H3
InChIKeyPZMHLVLPPQTVEG-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.09
Rot. Bonds5

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

methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate (PubChem CID 63302632) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate
PubChem CID63302632
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCc2ccnn2C)o1
InChIInChI=1S/C12H15N3O3/c1-15-9(5-6-14-15)7-13-8-10-3-4-11(18-10)12(16)17-2/h3-6,13H,7-8H2,1-2H3
InChIKeyPZMHLVLPPQTVEG-UHFFFAOYSA-N
XLogP1.09
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate
CID 55026629
methyl 5-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 55170799
methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate
CID 78990553
methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
CID 43219093
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate (CID 63302632) is methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCc2ccnn2C)o1.
What is the InChIKey of methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate?
The InChIKey is PZMHLVLPPQTVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15-9(5-6-14-15)7-13-8-10-3-4-11(18-10)12(16)17-2/h3-6,13H,7-8H2,1-2H3.
What are the key properties of methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate?
methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 63302632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).