N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine

C15H25N3O — CID 64799122

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESc1cn(C2CCCC2)nc1CNCC1CCCOC1
InChIInChI=1S/C15H25N3O/c1-2-6-15(5-1)18-8-7-14(17-18)11-16-10-13-4-3-9-19-12-13/h7-8,13,15-16H,1-6,9-12H2
InChIKeyXSIHGMWKNQTODR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.51
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 64799122) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID64799122
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESc1cn(C2CCCC2)nc1CNCC1CCCOC1
InChIInChI=1S/C15H25N3O/c1-2-6-15(5-1)18-8-7-14(17-18)11-16-10-13-4-3-9-19-12-13/h7-8,13,15-16H,1-6,9-12H2
InChIKeyXSIHGMWKNQTODR-UHFFFAOYSA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine 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 N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine (CID 64799122) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine is c1cn(C2CCCC2)nc1CNCC1CCCOC1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is XSIHGMWKNQTODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-6-15(5-1)18-8-7-14(17-18)11-16-10-13-4-3-9-19-12-13/h7-8,13,15-16H,1-6,9-12H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 64799122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).