N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine

C19H26N4OS — CID 16672003

IUPACN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCc1ccc(CN(CCCN(C)C)Cc2cn[nH]c2-c2cccs2)o1
InChIInChI=1S/C19H26N4OS/c1-15-7-8-17(24-15)14-23(10-5-9-22(2)3)13-16-12-20-21-19(16)18-6-4-11-25-18/h4,6-8,11-12H,5,9-10,13-14H2,1-3H3,(H,20,21)
InChIKeyYOFXXLIYQCBRDC-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.99
Rot. Bonds9

About N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine

N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 16672003) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID16672003
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCc1ccc(CN(CCCN(C)C)Cc2cn[nH]c2-c2cccs2)o1
InChIInChI=1S/C19H26N4OS/c1-15-7-8-17(24-15)14-23(10-5-9-22(2)3)13-16-12-20-21-19(16)18-6-4-11-25-18/h4,6-8,11-12H,5,9-10,13-14H2,1-3H3,(H,20,21)
InChIKeyYOFXXLIYQCBRDC-UHFFFAOYSA-N
XLogP3.99
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine 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,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine (CID 16672003) is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine is Cc1ccc(CN(CCCN(C)C)Cc2cn[nH]c2-c2cccs2)o1.
What is the InChIKey of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is YOFXXLIYQCBRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-15-7-8-17(24-15)14-23(10-5-9-22(2)3)13-16-12-20-21-19(16)18-6-4-11-25-18/h4,6-8,11-12H,5,9-10,13-14H2,1-3H3,(H,20,21).
What are the key properties of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine?
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 358.51 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 16672003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).