4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid

C10H15N3O3 — CID 64779954

IUPAC4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid
SMILESCNC(=O)c1ccn(C(C)CCC(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-7(3-4-9(14)15)13-6-5-8(12-13)10(16)11-2/h5-7H,3-4H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyOAHGCRQXULZOGQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.67
Rot. Bonds5

About 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid

4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid (PubChem CID 64779954) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid
PubChem CID64779954
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid
SMILESCNC(=O)c1ccn(C(C)CCC(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-7(3-4-9(14)15)13-6-5-8(12-13)10(16)11-2/h5-7H,3-4H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyOAHGCRQXULZOGQ-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid?
The IUPAC name of 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid (CID 64779954) is 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid.
What is the SMILES notation for 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid?
The canonical SMILES for 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid is CNC(=O)c1ccn(C(C)CCC(=O)O)n1.
What is the InChIKey of 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid?
The InChIKey is OAHGCRQXULZOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(3-4-9(14)15)13-6-5-8(12-13)10(16)11-2/h5-7H,3-4H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid?
4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid is sourced from PubChem (CID 64779954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).