N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine

C14H28N4 — CID 64800022

IUPACN'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCCC(CC)n1ccc(CN(CC)CCCN)n1
InChIInChI=1S/C14H28N4/c1-4-14(5-2)18-11-8-13(16-18)12-17(6-3)10-7-9-15/h8,11,14H,4-7,9-10,12,15H2,1-3H3
InChIKeyYEHCYJLXYFICPO-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.41
Rot. Bonds9

About N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine

N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 64800022) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
PubChem CID64800022
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCCC(CC)n1ccc(CN(CC)CCCN)n1
InChIInChI=1S/C14H28N4/c1-4-14(5-2)18-11-8-13(16-18)12-17(6-3)10-7-9-15/h8,11,14H,4-7,9-10,12,15H2,1-3H3
InChIKeyYEHCYJLXYFICPO-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-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

Related Compounds

N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801479
1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389937
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanethioamide
CID 64800753
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64783227
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 64784229
ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate
CID 64780042
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
N'-ethyl-N'-(imidazo[1,2-a]pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137193

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine (CID 64800022) is N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine is CCC(CC)n1ccc(CN(CC)CCCN)n1.
What is the InChIKey of N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is YEHCYJLXYFICPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-14(5-2)18-11-8-13(16-18)12-17(6-3)10-7-9-15/h8,11,14H,4-7,9-10,12,15H2,1-3H3.
What are the key properties of N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine?
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 64800022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).