4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid

C15H17N3O4 — CID 120702722

IUPAC4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H17N3O4/c1-22-10-8-13(15(20)21)16-14(19)12-7-9-18(17-12)11-5-3-2-4-6-11/h2-7,9,13H,8,10H2,1H3,(H,16,19)(H,20,21)
InChIKeyNNZFCDQXUVUOPY-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.09
Rot. Bonds7

About 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid

4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid (PubChem CID 120702722) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
PubChem CID120702722
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H17N3O4/c1-22-10-8-13(15(20)21)16-14(19)12-7-9-18(17-12)11-5-3-2-4-6-11/h2-7,9,13H,8,10H2,1H3,(H,16,19)(H,20,21)
InChIKeyNNZFCDQXUVUOPY-UHFFFAOYSA-N
XLogP1.09
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid (CID 120702722) is 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid is COCCC(NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid?
The InChIKey is NNZFCDQXUVUOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-10-8-13(15(20)21)16-14(19)12-7-9-18(17-12)11-5-3-2-4-6-11/h2-7,9,13H,8,10H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid?
4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120702722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).