3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid

C15H19N3O4 — CID 72898355

IUPAC3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1cc(C(=O)NC(CC(=O)O)c2ccco2)c(C)n1
InChIInChI=1S/C15H19N3O4/c1-3-6-18-9-11(10(2)17-18)15(21)16-12(8-14(19)20)13-5-4-7-22-13/h4-5,7,9,12H,3,6,8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyCZSNCURYMOGSHM-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.14
Rot. Bonds7

About 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid

3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 72898355) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID72898355
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1cc(C(=O)NC(CC(=O)O)c2ccco2)c(C)n1
InChIInChI=1S/C15H19N3O4/c1-3-6-18-9-11(10(2)17-18)15(21)16-12(8-14(19)20)13-5-4-7-22-13/h4-5,7,9,12H,3,6,8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyCZSNCURYMOGSHM-UHFFFAOYSA-N
XLogP2.14
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid (CID 72898355) is 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid is CCCn1cc(C(=O)NC(CC(=O)O)c2ccco2)c(C)n1.
What is the InChIKey of 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is CZSNCURYMOGSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-6-18-9-11(10(2)17-18)15(21)16-12(8-14(19)20)13-5-4-7-22-13/h4-5,7,9,12H,3,6,8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 72898355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).