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

C13H21N3O — CID 55188727

IUPAC4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one
SMILESCCn1c(C2CC2)c(N)c(=O)n1C1CCCC1
InChIInChI=1S/C13H21N3O/c1-2-15-12(9-7-8-9)11(14)13(17)16(15)10-5-3-4-6-10/h9-10H,2-8,14H2,1H3
InChIKeyGZINKEPSBWWVMB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds3

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

4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one (PubChem CID 55188727) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one
PubChem CID55188727
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one
SMILESCCn1c(C2CC2)c(N)c(=O)n1C1CCCC1
InChIInChI=1S/C13H21N3O/c1-2-15-12(9-7-8-9)11(14)13(17)16(15)10-5-3-4-6-10/h9-10H,2-8,14H2,1H3
InChIKeyGZINKEPSBWWVMB-UHFFFAOYSA-N
XLogP2.24
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one?
The IUPAC name of 4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one (CID 55188727) is 4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one?
The canonical SMILES for 4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one is CCn1c(C2CC2)c(N)c(=O)n1C1CCCC1.
What is the InChIKey of 4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one?
The InChIKey is GZINKEPSBWWVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-15-12(9-7-8-9)11(14)13(17)16(15)10-5-3-4-6-10/h9-10H,2-8,14H2,1H3.
What are the key properties of 4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one?
4-amino-2-cyclopentyl-5-cyclopropyl-1-ethylpyrazol-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.24, 3 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-ethylpyrazol-3-one is sourced from PubChem (CID 55188727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).