N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C19H31N5 — CID 43818049

IUPACN'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCCn1nc(C)c(CN(CCN(C)C)Cc2cccnc2)c1C
InChIInChI=1S/C19H31N5/c1-6-10-24-17(3)19(16(2)21-24)15-23(12-11-22(4)5)14-18-8-7-9-20-13-18/h7-9,13H,6,10-12,14-15H2,1-5H3
InChIKeyORGUTULMZPJKFJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.87
Rot. Bonds9

About N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43818049) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID43818049
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC NameN'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCCn1nc(C)c(CN(CCN(C)C)Cc2cccnc2)c1C
InChIInChI=1S/C19H31N5/c1-6-10-24-17(3)19(16(2)21-24)15-23(12-11-22(4)5)14-18-8-7-9-20-13-18/h7-9,13H,6,10-12,14-15H2,1-5H3
InChIKeyORGUTULMZPJKFJ-UHFFFAOYSA-N
XLogP2.87
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-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'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 43818049) is N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is CCCn1nc(C)c(CN(CCN(C)C)Cc2cccnc2)c1C.
What is the InChIKey of N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is ORGUTULMZPJKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-6-10-24-17(3)19(16(2)21-24)15-23(12-11-22(4)5)14-18-8-7-9-20-13-18/h7-9,13H,6,10-12,14-15H2,1-5H3.
What are the key properties of N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 329.49 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43818049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).