3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid

C9H13N3O2 — CID 115069359

IUPAC3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid
SMILESNc1c(CCC(=O)O)cnn1C1CC1
InChIInChI=1S/C9H13N3O2/c10-9-6(1-4-8(13)14)5-11-12(9)7-2-3-7/h5,7H,1-4,10H2,(H,13,14)
InChIKeyJNGBIKIJIDCKSO-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.82
Rot. Bonds4

About 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid

3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid (PubChem CID 115069359) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid
PubChem CID115069359
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid
SMILESNc1c(CCC(=O)O)cnn1C1CC1
InChIInChI=1S/C9H13N3O2/c10-9-6(1-4-8(13)14)5-11-12(9)7-2-3-7/h5,7H,1-4,10H2,(H,13,14)
InChIKeyJNGBIKIJIDCKSO-UHFFFAOYSA-N
XLogP0.82
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid (CID 115069359) is 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid is Nc1c(CCC(=O)O)cnn1C1CC1.
What is the InChIKey of 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid?
The InChIKey is JNGBIKIJIDCKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-9-6(1-4-8(13)14)5-11-12(9)7-2-3-7/h5,7H,1-4,10H2,(H,13,14).
What are the key properties of 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid?
3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-cyclopropylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 115069359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).