3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid

C11H17N3O4 — CID 114255017

IUPAC3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1cc(OC)n(C)n1
InChIInChI=1S/C11H17N3O4/c1-4-7(5-10(15)16)12-11(17)8-6-9(18-3)14(2)13-8/h6-7H,4-5H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyMZYVKWWKNVSYRJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.41
Rot. Bonds6

About 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid

3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid (PubChem CID 114255017) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid
PubChem CID114255017
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1cc(OC)n(C)n1
InChIInChI=1S/C11H17N3O4/c1-4-7(5-10(15)16)12-11(17)8-6-9(18-3)14(2)13-8/h6-7H,4-5H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyMZYVKWWKNVSYRJ-UHFFFAOYSA-N
XLogP0.41
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid (CID 114255017) is 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid is CCC(CC(=O)O)NC(=O)c1cc(OC)n(C)n1.
What is the InChIKey of 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is MZYVKWWKNVSYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-7(5-10(15)16)12-11(17)8-6-9(18-3)14(2)13-8/h6-7H,4-5H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid?
3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 114255017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).