1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine

C15H27N5 — CID 79174452

IUPAC1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCC3CCC(C2)N3C)c1N
InChIInChI=1S/C15H27N5/c1-4-5-13-14(16)15(19(3)17-13)20-9-8-11-6-7-12(10-20)18(11)2/h11-12H,4-10,16H2,1-3H3
InChIKeyZJFXFLHVGISMIW-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.63
Rot. Bonds3

About 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine

1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine (PubChem CID 79174452) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine
PubChem CID79174452
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCC3CCC(C2)N3C)c1N
InChIInChI=1S/C15H27N5/c1-4-5-13-14(16)15(19(3)17-13)20-9-8-11-6-7-12(10-20)18(11)2/h11-12H,4-10,16H2,1-3H3
InChIKeyZJFXFLHVGISMIW-UHFFFAOYSA-N
XLogP1.63
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine 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 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine (CID 79174452) is 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine is CCCc1nn(C)c(N2CCC3CCC(C2)N3C)c1N.
What is the InChIKey of 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine?
The InChIKey is ZJFXFLHVGISMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-5-13-14(16)15(19(3)17-13)20-9-8-11-6-7-12(10-20)18(11)2/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine?
1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine is sourced from PubChem (CID 79174452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).