3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid

C9H15N3O2 — CID 175005093

IUPAC3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid
SMILESCCC(CC(=O)O)c1cn(C)nc1N
InChIInChI=1S/C9H15N3O2/c1-3-6(4-8(13)14)7-5-12(2)11-9(7)10/h5-6H,3-4H2,1-2H3,(H2,10,11)(H,13,14)
InChIKeyOVTIDDGTFNQWNJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.97
Rot. Bonds4

About 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid

3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid (PubChem CID 175005093) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid
PubChem CID175005093
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid
SMILESCCC(CC(=O)O)c1cn(C)nc1N
InChIInChI=1S/C9H15N3O2/c1-3-6(4-8(13)14)7-5-12(2)11-9(7)10/h5-6H,3-4H2,1-2H3,(H2,10,11)(H,13,14)
InChIKeyOVTIDDGTFNQWNJ-UHFFFAOYSA-N
XLogP0.97
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid?
The IUPAC name of 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid (CID 175005093) is 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid.
What is the SMILES notation for 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid?
The canonical SMILES for 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid is CCC(CC(=O)O)c1cn(C)nc1N.
What is the InChIKey of 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid?
The InChIKey is OVTIDDGTFNQWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-6(4-8(13)14)7-5-12(2)11-9(7)10/h5-6H,3-4H2,1-2H3,(H2,10,11)(H,13,14).
What are the key properties of 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid?
3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-methylpyrazol-4-yl)pentanoic acid is sourced from PubChem (CID 175005093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).