5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine

C14H20N4O — CID 80734248

IUPAC5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCCn2cccn2)c1
InChIInChI=1S/C14H20N4O/c1-2-8-19-14-10-12(15)9-13(11-14)16-5-7-18-6-3-4-17-18/h3-4,6,9-11,16H,2,5,7-8,15H2,1H3
InChIKeyRGAZPURAXHYFES-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.37
Rot. Bonds7

About 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine

5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine (PubChem CID 80734248) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
PubChem CID80734248
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCCn2cccn2)c1
InChIInChI=1S/C14H20N4O/c1-2-8-19-14-10-12(15)9-13(11-14)16-5-7-18-6-3-4-17-18/h3-4,6,9-11,16H,2,5,7-8,15H2,1H3
InChIKeyRGAZPURAXHYFES-UHFFFAOYSA-N
XLogP2.37
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 61459841
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
CID 80721832
3-N-[2-[di(propan-2-yl)amino]ethyl]-5-propoxybenzene-1,3-diamine
CID 80726917
5-(3-amino-5-propoxyanilino)pentan-2-ol
CID 106119873
1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
CID 80735376
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 81089888
3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 114940615
3-N-[(3,4-difluorophenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80738657

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine?
The IUPAC name of 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine (CID 80734248) is 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine is CCCOc1cc(N)cc(NCCn2cccn2)c1.
What is the InChIKey of 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine?
The InChIKey is RGAZPURAXHYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-8-19-14-10-12(15)9-13(11-14)16-5-7-18-6-3-4-17-18/h3-4,6,9-11,16H,2,5,7-8,15H2,1H3.
What are the key properties of 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine?
5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 80734248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).