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

C15H19N3O4 — CID 119226411

IUPAC2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1nn(C)c(C)c1CC(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C15H19N3O4/c1-8-12(9(2)18(4)17-8)6-14(19)16-7-11-5-13(15(20)21)10(3)22-11/h5H,6-7H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyRELISGMZMZLJII-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.50
Rot. Bonds5

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

2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119226411) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid
PubChem CID119226411
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1nn(C)c(C)c1CC(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C15H19N3O4/c1-8-12(9(2)18(4)17-8)6-14(19)16-7-11-5-13(15(20)21)10(3)22-11/h5H,6-7H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyRELISGMZMZLJII-UHFFFAOYSA-N
XLogP1.50
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 99829147
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119226184
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86836141
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226513
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
5-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226452
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid (CID 119226411) is 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid is Cc1nn(C)c(C)c1CC(=O)NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is RELISGMZMZLJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-8-12(9(2)18(4)17-8)6-14(19)16-7-11-5-13(15(20)21)10(3)22-11/h5H,6-7H2,1-4H3,(H,16,19)(H,20,21).
What are the key properties of 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119226411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).