3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid

C13H17N3O3 — CID 103268845

IUPAC3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNCCc2ccnn2C)oc1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-9-7-11(19-12(9)13(17)18)8-14-5-3-10-4-6-15-16(10)2/h4,6-7,14H,3,5,8H2,1-2H3,(H,17,18)
InChIKeyNTLHDRZZOFGPDX-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.35
Rot. Bonds6

About 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid

3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid (PubChem CID 103268845) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid
PubChem CID103268845
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNCCc2ccnn2C)oc1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-9-7-11(19-12(9)13(17)18)8-14-5-3-10-4-6-15-16(10)2/h4,6-7,14H,3,5,8H2,1-2H3,(H,17,18)
InChIKeyNTLHDRZZOFGPDX-UHFFFAOYSA-N
XLogP1.35
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103247021
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103232742
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
3-methyl-5-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 114184161
2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 104694267
5-[[2-(diethylamino)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103234085
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate
CID 55026629
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335
2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 103001687
5-[(5-bromo-2-methylanilino)methyl]-3-methylfuran-2-carboxylic acid
CID 103239510

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid (CID 103268845) is 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid is Cc1cc(CNCCc2ccnn2C)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid?
The InChIKey is NTLHDRZZOFGPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-7-11(19-12(9)13(17)18)8-14-5-3-10-4-6-15-16(10)2/h4,6-7,14H,3,5,8H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid?
3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103268845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).