3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid

C9H15N3O2 — CID 175002565

IUPAC3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid
SMILESCCn1cc(C(C)CC(=O)O)c(N)n1
InChIInChI=1S/C9H15N3O2/c1-3-12-5-7(9(10)11-12)6(2)4-8(13)14/h5-6H,3-4H2,1-2H3,(H2,10,11)(H,13,14)
InChIKeyKNAZJOBWEANLSI-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.06
Rot. Bonds4

About 3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid

3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid (PubChem CID 175002565) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid
PubChem CID175002565
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid
SMILESCCn1cc(C(C)CC(=O)O)c(N)n1
InChIInChI=1S/C9H15N3O2/c1-3-12-5-7(9(10)11-12)6(2)4-8(13)14/h5-6H,3-4H2,1-2H3,(H2,10,11)(H,13,14)
InChIKeyKNAZJOBWEANLSI-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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-ethylpyrazol-4-yl)butanoic acid?
The IUPAC name of 3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid (CID 175002565) is 3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid.
What is the SMILES notation for 3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid?
The canonical SMILES for 3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid is CCn1cc(C(C)CC(=O)O)c(N)n1.
What is the InChIKey of 3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid?
The InChIKey is KNAZJOBWEANLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-12-5-7(9(10)11-12)6(2)4-8(13)14/h5-6H,3-4H2,1-2H3,(H2,10,11)(H,13,14).
What are the key properties of 3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid?
3-(3-amino-1-ethylpyrazol-4-yl)butanoic acid has a molecular weight of 197.24 g/mol, XLogP of 1.06, 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-ethylpyrazol-4-yl)butanoic acid is sourced from PubChem (CID 175002565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).