methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate

C14H19N3O3 — CID 78990553

IUPACmethyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCc2c(C)nn(C)c2C)o1
InChIInChI=1S/C14H19N3O3/c1-9-12(10(2)17(3)16-9)8-15-7-11-5-6-13(20-11)14(18)19-4/h5-6,15H,7-8H2,1-4H3
InChIKeyNWSWINMTXYFFCT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds5

About methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate

methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate (PubChem CID 78990553) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate
PubChem CID78990553
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCc2c(C)nn(C)c2C)o1
InChIInChI=1S/C14H19N3O3/c1-9-12(10(2)17(3)16-9)8-15-7-11-5-6-13(20-11)14(18)19-4/h5-6,15H,7-8H2,1-4H3
InChIKeyNWSWINMTXYFFCT-UHFFFAOYSA-N
XLogP1.71
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate
CID 63302632
1-(5-nitrofuran-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78943449
methyl 5-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 55170799
methyl 5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 103923082
5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255390
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
CID 43219093
methyl 5-[hydroxy-(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-carboxylate
CID 106947157
methyl 5-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]furan-2-carboxylate
CID 43222515
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate (CID 78990553) is methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCc2c(C)nn(C)c2C)o1.
What is the InChIKey of methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate?
The InChIKey is NWSWINMTXYFFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-12(10(2)17(3)16-9)8-15-7-11-5-6-13(20-11)14(18)19-4/h5-6,15H,7-8H2,1-4H3.
What are the key properties of methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate?
methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 78990553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).