N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine

C15H28N4O2 — CID 128981481

IUPACN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCOCCn1cc(CN(C)C[C@@H]2C[C@H](OC)CN2C)cn1
InChIInChI=1S/C15H28N4O2/c1-17(11-14-7-15(21-4)12-18(14)2)9-13-8-16-19(10-13)5-6-20-3/h8,10,14-15H,5-7,9,11-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyOHZDSNKIFNUKIO-GJZGRUSLSA-N
MW296.42 g/mol
LogP0.68
Rot. Bonds8

About N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine

N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 128981481) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine
PubChem CID128981481
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCOCCn1cc(CN(C)C[C@@H]2C[C@H](OC)CN2C)cn1
InChIInChI=1S/C15H28N4O2/c1-17(11-14-7-15(21-4)12-18(14)2)9-13-8-16-19(10-13)5-6-20-3/h8,10,14-15H,5-7,9,11-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyOHZDSNKIFNUKIO-GJZGRUSLSA-N
XLogP0.68
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine 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-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine (CID 128981481) is N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine is COCCn1cc(CN(C)C[C@@H]2C[C@H](OC)CN2C)cn1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is OHZDSNKIFNUKIO-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-17(11-14-7-15(21-4)12-18(14)2)9-13-8-16-19(10-13)5-6-20-3/h8,10,14-15H,5-7,9,11-12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine?
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 296.42 g/mol, XLogP of 0.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 128981481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).