N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine

C13H26N4 — CID 64799832

IUPACN'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCC(CC)n1ccc(CN(CC)CCN)n1
InChIInChI=1S/C13H26N4/c1-4-13(5-2)17-9-7-12(15-17)11-16(6-3)10-8-14/h7,9,13H,4-6,8,10-11,14H2,1-3H3
InChIKeyBVWXWLNVDSCMGV-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.02
Rot. Bonds8

About N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 64799832) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID64799832
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCC(CC)n1ccc(CN(CC)CCN)n1
InChIInChI=1S/C13H26N4/c1-4-13(5-2)17-9-7-12(15-17)11-16(6-3)10-8-14/h7,9,13H,4-6,8,10-11,14H2,1-3H3
InChIKeyBVWXWLNVDSCMGV-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]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

Related Compounds

N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022
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
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799449
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'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 113468470
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116652941

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 64799832) is N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine is CCC(CC)n1ccc(CN(CC)CCN)n1.
What is the InChIKey of N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is BVWXWLNVDSCMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-13(5-2)17-9-7-12(15-17)11-16(6-3)10-8-14/h7,9,13H,4-6,8,10-11,14H2,1-3H3.
What are the key properties of N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.02, 8 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]ethane-1,2-diamine is sourced from PubChem (CID 64799832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).