1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid

C10H15N3O2 — CID 130575386

IUPAC1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(C(N)C2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-6-7(5-12-13)8(11)10(9(14)15)3-2-4-10/h5-6,8H,2-4,11H2,1H3,(H,14,15)
InChIKeyILWNSNVLRFYYFG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.67
Rot. Bonds3

About 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid

1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 130575386) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID130575386
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(C(N)C2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-6-7(5-12-13)8(11)10(9(14)15)3-2-4-10/h5-6,8H,2-4,11H2,1H3,(H,14,15)
InChIKeyILWNSNVLRFYYFG-UHFFFAOYSA-N
XLogP0.67
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid (CID 130575386) is 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid is Cn1cc(C(N)C2(C(=O)O)CCC2)cn1.
What is the InChIKey of 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ILWNSNVLRFYYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-6-7(5-12-13)8(11)10(9(14)15)3-2-4-10/h5-6,8H,2-4,11H2,1H3,(H,14,15).
What are the key properties of 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid?
1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130575386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).