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

C14H19N3O — CID 60760228

IUPAC3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
SMILESCc1[nH]ncc1CCCNCc1cccc(O)c1
InChIInChI=1S/C14H19N3O/c1-11-13(10-16-17-11)5-3-7-15-9-12-4-2-6-14(18)8-12/h2,4,6,8,10,15,18H,3,5,7,9H2,1H3,(H,16,17)
InChIKeyJRNIJDFZIAPLOL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.15
Rot. Bonds6

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

3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol (PubChem CID 60760228) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
PubChem CID60760228
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
SMILESCc1[nH]ncc1CCCNCc1cccc(O)c1
InChIInChI=1S/C14H19N3O/c1-11-13(10-16-17-11)5-3-7-15-9-12-4-2-6-14(18)8-12/h2,4,6,8,10,15,18H,3,5,7,9H2,1H3,(H,16,17)
InChIKeyJRNIJDFZIAPLOL-UHFFFAOYSA-N
XLogP2.15
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.15
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 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol?
The IUPAC name of 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol (CID 60760228) is 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol.
What is the SMILES notation for 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol?
The canonical SMILES for 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol is Cc1[nH]ncc1CCCNCc1cccc(O)c1.
What is the InChIKey of 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol?
The InChIKey is JRNIJDFZIAPLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-13(10-16-17-11)5-3-7-15-9-12-4-2-6-14(18)8-12/h2,4,6,8,10,15,18H,3,5,7,9H2,1H3,(H,16,17).
What are the key properties of 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol?
3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol is sourced from PubChem (CID 60760228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).