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

C17H23N3O4 — CID 119222115

IUPAC2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C17H23N3O4/c1-9(15-10(2)18-20(6)11(15)3)16(21)19(5)8-13-7-14(17(22)23)12(4)24-13/h7,9H,8H2,1-6H3,(H,22,23)
InChIKeyABRFRGADYWYPJD-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.40
Rot. Bonds5

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

2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119222115) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID119222115
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C17H23N3O4/c1-9(15-10(2)18-20(6)11(15)3)16(21)19(5)8-13-7-14(17(22)23)12(4)24-13/h7,9H,8H2,1-6H3,(H,22,23)
InChIKeyABRFRGADYWYPJD-UHFFFAOYSA-N
XLogP2.40
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-ethoxy-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-furamide
CID 46999797
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-(4-morpholinylmethyl)-3-furamide
CID 72940970
N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52390829
Methyl 5-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31967045
Methyl 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 33582112
methyl 5-[[[(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34482907
Methyl 5-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484123
Methyl 5-[[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 37689217
2-Methyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-3-carboxylic acid
CID 43670363
Methyl 5-[[[2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 45903656
Methyl 2-methyl-5-[[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]furan-3-carboxylate
CID 55454983
Methyl 5-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55618972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid (CID 119222115) is 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid is Cc1nn(C)c(C)c1C(C)C(=O)N(C)Cc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is ABRFRGADYWYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-9(15-10(2)18-20(6)11(15)3)16(21)19(5)8-13-7-14(17(22)23)12(4)24-13/h7,9H,8H2,1-6H3,(H,22,23).
What are the key properties of 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119222115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).