3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid

C12H20N4O2 — CID 117123284

IUPAC3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid
SMILESNc1nn(C2CCCCC2)c(N)c1CCC(=O)O
InChIInChI=1S/C12H20N4O2/c13-11-9(6-7-10(17)18)12(14)16(15-11)8-4-2-1-3-5-8/h8H,1-7,14H2,(H2,13,15)(H,17,18)
InChIKeyLCEFKDSYUXKIJF-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.57
Rot. Bonds4

About 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid

3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid (PubChem CID 117123284) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid
PubChem CID117123284
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid
SMILESNc1nn(C2CCCCC2)c(N)c1CCC(=O)O
InChIInChI=1S/C12H20N4O2/c13-11-9(6-7-10(17)18)12(14)16(15-11)8-4-2-1-3-5-8/h8H,1-7,14H2,(H2,13,15)(H,17,18)
InChIKeyLCEFKDSYUXKIJF-UHFFFAOYSA-N
XLogP1.57
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic 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 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid (CID 117123284) is 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid is Nc1nn(C2CCCCC2)c(N)c1CCC(=O)O.
What is the InChIKey of 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid?
The InChIKey is LCEFKDSYUXKIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-11-9(6-7-10(17)18)12(14)16(15-11)8-4-2-1-3-5-8/h8H,1-7,14H2,(H2,13,15)(H,17,18).
What are the key properties of 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid?
3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diamino-1-cyclohexylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 117123284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).