4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one

C10H17N3O — CID 55136935

IUPAC4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one
SMILESCc1c(N)c(=O)n(C2CCCC2)n1C
InChIInChI=1S/C10H17N3O/c1-7-9(11)10(14)13(12(7)2)8-5-3-4-6-8/h8H,3-6,11H2,1-2H3
InChIKeyJYNVCWSUSHUWQU-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.19
Rot. Bonds1

About 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one

4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one (PubChem CID 55136935) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one
PubChem CID55136935
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one
SMILESCc1c(N)c(=O)n(C2CCCC2)n1C
InChIInChI=1S/C10H17N3O/c1-7-9(11)10(14)13(12(7)2)8-5-3-4-6-8/h8H,3-6,11H2,1-2H3
InChIKeyJYNVCWSUSHUWQU-UHFFFAOYSA-N
XLogP1.19
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.19
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-1,5-dimethylpyrazol-3-one?
The IUPAC name of 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one (CID 55136935) is 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one?
The canonical SMILES for 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one is Cc1c(N)c(=O)n(C2CCCC2)n1C.
What is the InChIKey of 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one?
The InChIKey is JYNVCWSUSHUWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-9(11)10(14)13(12(7)2)8-5-3-4-6-8/h8H,3-6,11H2,1-2H3.
What are the key properties of 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one?
4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one is sourced from PubChem (CID 55136935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).