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

C12H19N3O2 — CID 115069381

IUPAC3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid
SMILESNc1c(CCC(=O)O)cnn1C1CCCCC1
InChIInChI=1S/C12H19N3O2/c13-12-9(6-7-11(16)17)8-14-15(12)10-4-2-1-3-5-10/h8,10H,1-7,13H2,(H,16,17)
InChIKeySHZZOGBEPVSMFO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds4

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

3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid (PubChem CID 115069381) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid
PubChem CID115069381
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid
SMILESNc1c(CCC(=O)O)cnn1C1CCCCC1
InChIInChI=1S/C12H19N3O2/c13-12-9(6-7-11(16)17)8-14-15(12)10-4-2-1-3-5-10/h8,10H,1-7,13H2,(H,16,17)
InChIKeySHZZOGBEPVSMFO-UHFFFAOYSA-N
XLogP1.99
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
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-cyclohexylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid (CID 115069381) is 3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid is Nc1c(CCC(=O)O)cnn1C1CCCCC1.
What is the InChIKey of 3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid?
The InChIKey is SHZZOGBEPVSMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-12-9(6-7-11(16)17)8-14-15(12)10-4-2-1-3-5-10/h8,10H,1-7,13H2,(H,16,17).
What are the key properties of 3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid?
3-(5-amino-1-cyclohexylpyrazol-4-yl)propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.99, 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-cyclohexylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 115069381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).