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

C14H25N3O2 — CID 62318431

IUPAC4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1C1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-3-9-16-12(10-19-2)13(15)14(18)17(16)11-7-5-4-6-8-11/h11H,3-10,15H2,1-2H3
InChIKeyYBUBMTOAUHOFNO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.29
Rot. Bonds5

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

4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one (PubChem CID 62318431) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one
PubChem CID62318431
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1C1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-3-9-16-12(10-19-2)13(15)14(18)17(16)11-7-5-4-6-8-11/h11H,3-10,15H2,1-2H3
InChIKeyYBUBMTOAUHOFNO-UHFFFAOYSA-N
XLogP2.29
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-cyclohexyl-5-(methoxymethyl)-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-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one (CID 62318431) is 4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one is CCCn1c(COC)c(N)c(=O)n1C1CCCCC1.
What is the InChIKey of 4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The InChIKey is YBUBMTOAUHOFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-9-16-12(10-19-2)13(15)14(18)17(16)11-7-5-4-6-8-11/h11H,3-10,15H2,1-2H3.
What are the key properties of 4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one has a molecular weight of 267.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexyl-5-(methoxymethyl)-1-propylpyrazol-3-one is sourced from PubChem (CID 62318431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).