N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine

C19H34N6 — CID 54576748

IUPACN',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(Cn1nc(C)cc1C)Cn1nc(C)cc1C
InChIInChI=1S/C19H34N6/c1-7-22(8-2)10-9-11-23(14-24-18(5)12-16(3)20-24)15-25-19(6)13-17(4)21-25/h12-13H,7-11,14-15H2,1-6H3
InChIKeyBBJXVDWLGCUHRE-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.96
Rot. Bonds10

About N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine

N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine (PubChem CID 54576748) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine
PubChem CID54576748
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC NameN',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(Cn1nc(C)cc1C)Cn1nc(C)cc1C
InChIInChI=1S/C19H34N6/c1-7-22(8-2)10-9-11-23(14-24-18(5)12-16(3)20-24)15-25-19(6)13-17(4)21-25/h12-13H,7-11,14-15H2,1-6H3
InChIKeyBBJXVDWLGCUHRE-UHFFFAOYSA-N
XLogP2.96
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-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'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine?
The IUPAC name of N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine (CID 54576748) is N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine.
What is the SMILES notation for N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine?
The canonical SMILES for N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine is CCN(CC)CCCN(Cn1nc(C)cc1C)Cn1nc(C)cc1C.
What is the InChIKey of N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine?
The InChIKey is BBJXVDWLGCUHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-7-22(8-2)10-9-11-23(14-24-18(5)12-16(3)20-24)15-25-19(6)13-17(4)21-25/h12-13H,7-11,14-15H2,1-6H3.
What are the key properties of N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine?
N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine has a molecular weight of 346.52 g/mol, XLogP of 2.96, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine is sourced from PubChem (CID 54576748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).