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

C14H19N3O3 — CID 103255390

IUPAC5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CNCc1cc(C(=O)O)oc1C
InChIInChI=1S/C14H19N3O3/c1-8-12(9(2)17(4)16-8)7-15-6-11-5-13(14(18)19)20-10(11)3/h5,15H,6-7H2,1-4H3,(H,18,19)
InChIKeyYVZRHEGCOKNBCC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.93
Rot. Bonds5

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

5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid (PubChem CID 103255390) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
PubChem CID103255390
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CNCc1cc(C(=O)O)oc1C
InChIInChI=1S/C14H19N3O3/c1-8-12(9(2)17(4)16-8)7-15-6-11-5-13(14(18)19)20-10(11)3/h5,15H,6-7H2,1-4H3,(H,18,19)
InChIKeyYVZRHEGCOKNBCC-UHFFFAOYSA-N
XLogP1.93
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylate
CID 78990553
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
1-(5-methyl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 103864327
2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119226411
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 60776965
4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106137095
2-chloro-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78960630
5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide
CID 79613806
4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid
CID 103260997
4-[(2-ethoxyethylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103230112
1-(2,5-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79006355

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid (CID 103255390) is 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid is Cc1nn(C)c(C)c1CNCc1cc(C(=O)O)oc1C.
What is the InChIKey of 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid?
The InChIKey is YVZRHEGCOKNBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-12(9(2)17(4)16-8)7-15-6-11-5-13(14(18)19)20-10(11)3/h5,15H,6-7H2,1-4H3,(H,18,19).
What are the key properties of 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid?
5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103255390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).