(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine

C17H27N5O — CID 128970652

IUPAC(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCCc1nn(C)c(CC)c1CN[C@H]1CCO[C@@H]1c1nccn1C
InChIInChI=1S/C17H27N5O/c1-5-13-12(15(6-2)22(4)20-13)11-19-14-7-10-23-16(14)17-18-8-9-21(17)3/h8-9,14,16,19H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1
InChIKeyDZGRXENWGIXUNZ-HOCLYGCPSA-N
MW317.44 g/mol
LogP1.90
Rot. Bonds6

About (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine

(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine (PubChem CID 128970652) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
PubChem CID128970652
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCCc1nn(C)c(CC)c1CN[C@H]1CCO[C@@H]1c1nccn1C
InChIInChI=1S/C17H27N5O/c1-5-13-12(15(6-2)22(4)20-13)11-19-14-7-10-23-16(14)17-18-8-9-21(17)3/h8-9,14,16,19H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1
InChIKeyDZGRXENWGIXUNZ-HOCLYGCPSA-N
XLogP1.90
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-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 (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine (CID 128970652) is (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine is CCc1nn(C)c(CC)c1CN[C@H]1CCO[C@@H]1c1nccn1C.
What is the InChIKey of (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The InChIKey is DZGRXENWGIXUNZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H27N5O/c1-5-13-12(15(6-2)22(4)20-13)11-19-14-7-10-23-16(14)17-18-8-9-21(17)3/h8-9,14,16,19H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine has a molecular weight of 317.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 128970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).