4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one

C14H23N3O — CID 55188729

IUPAC4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one
SMILESCCCn1c(C2CC2)c(N)c(=O)n1C1CCCC1
InChIInChI=1S/C14H23N3O/c1-2-9-16-13(10-7-8-10)12(15)14(18)17(16)11-5-3-4-6-11/h10-11H,2-9,15H2,1H3
InChIKeyXRQLQDZYBHEQEL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds4

About 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one

4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one (PubChem CID 55188729) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one
PubChem CID55188729
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one
SMILESCCCn1c(C2CC2)c(N)c(=O)n1C1CCCC1
InChIInChI=1S/C14H23N3O/c1-2-9-16-13(10-7-8-10)12(15)14(18)17(16)11-5-3-4-6-11/h10-11H,2-9,15H2,1H3
InChIKeyXRQLQDZYBHEQEL-UHFFFAOYSA-N
XLogP2.63
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one 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 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one (CID 55188729) is 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one is CCCn1c(C2CC2)c(N)c(=O)n1C1CCCC1.
What is the InChIKey of 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one?
The InChIKey is XRQLQDZYBHEQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-9-16-13(10-7-8-10)12(15)14(18)17(16)11-5-3-4-6-11/h10-11H,2-9,15H2,1H3.
What are the key properties of 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one?
4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one has a molecular weight of 249.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyl-5-cyclopropyl-1-propylpyrazol-3-one is sourced from PubChem (CID 55188729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).