4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol

C16H23N3O — CID 62040234

IUPAC4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol
SMILESCCC(NCCCc1cn[nH]c1C)c1ccc(O)cc1
InChIInChI=1S/C16H23N3O/c1-3-16(13-6-8-15(20)9-7-13)17-10-4-5-14-11-18-19-12(14)2/h6-9,11,16-17,20H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyLZOZXBQQCBYYKN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.10
Rot. Bonds7

About 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol

4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol (PubChem CID 62040234) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol
PubChem CID62040234
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol
SMILESCCC(NCCCc1cn[nH]c1C)c1ccc(O)cc1
InChIInChI=1S/C16H23N3O/c1-3-16(13-6-8-15(20)9-7-13)17-10-4-5-14-11-18-19-12(14)2/h6-9,11,16-17,20H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyLZOZXBQQCBYYKN-UHFFFAOYSA-N
XLogP3.10
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol?
The IUPAC name of 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol (CID 62040234) is 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol?
The canonical SMILES for 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol is CCC(NCCCc1cn[nH]c1C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol?
The InChIKey is LZOZXBQQCBYYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-16(13-6-8-15(20)9-7-13)17-10-4-5-14-11-18-19-12(14)2/h6-9,11,16-17,20H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol?
4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol has a molecular weight of 273.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol is sourced from PubChem (CID 62040234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).