N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine

C16H24N4 — CID 107364942

IUPACN'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCCn1nccc1CN(CCCN)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-2-20-16(9-11-18-20)14-19(12-6-10-17)13-15-7-4-3-5-8-15/h3-5,7-9,11H,2,6,10,12-14,17H2,1H3
InChIKeyIAKJFWZBAWMLND-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.25
Rot. Bonds8

About N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine

N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 107364942) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine
PubChem CID107364942
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCCn1nccc1CN(CCCN)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-2-20-16(9-11-18-20)14-19(12-6-10-17)13-15-7-4-3-5-8-15/h3-5,7-9,11H,2,6,10,12-14,17H2,1H3
InChIKeyIAKJFWZBAWMLND-UHFFFAOYSA-N
XLogP2.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine (CID 107364942) is N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine is CCn1nccc1CN(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is IAKJFWZBAWMLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-20-16(9-11-18-20)14-19(12-6-10-17)13-15-7-4-3-5-8-15/h3-5,7-9,11H,2,6,10,12-14,17H2,1H3.
What are the key properties of N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine?
N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 107364942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).