4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one

C13H23N3O2 — CID 62318252

IUPAC4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1C1CCCC1
InChIInChI=1S/C13H23N3O2/c1-3-8-15-11(9-18-2)12(14)13(17)16(15)10-6-4-5-7-10/h10H,3-9,14H2,1-2H3
InChIKeyKCABVZUAYWEKSN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one

4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one (PubChem CID 62318252) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one
PubChem CID62318252
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1C1CCCC1
InChIInChI=1S/C13H23N3O2/c1-3-8-15-11(9-18-2)12(14)13(17)16(15)10-6-4-5-7-10/h10H,3-9,14H2,1-2H3
InChIKeyKCABVZUAYWEKSN-UHFFFAOYSA-N
XLogP1.90
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one (CID 62318252) is 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one is CCCn1c(COC)c(N)c(=O)n1C1CCCC1.
What is the InChIKey of 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The InChIKey is KCABVZUAYWEKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-8-15-11(9-18-2)12(14)13(17)16(15)10-6-4-5-7-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyl-5-(methoxymethyl)-1-propylpyrazol-3-one is sourced from PubChem (CID 62318252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).