2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol

C14H19N3O — CID 43547277

IUPAC2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol
SMILESCCC(Nc1c(C)n[nH]c1C)c1ccccc1O
InChIInChI=1S/C14H19N3O/c1-4-12(11-7-5-6-8-13(11)18)15-14-9(2)16-17-10(14)3/h5-8,12,15,18H,4H2,1-3H3,(H,16,17)
InChIKeyDGPMSQLSHRIOLX-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.30
Rot. Bonds4

About 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol

2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol (PubChem CID 43547277) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol
PubChem CID43547277
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol
SMILESCCC(Nc1c(C)n[nH]c1C)c1ccccc1O
InChIInChI=1S/C14H19N3O/c1-4-12(11-7-5-6-8-13(11)18)15-14-9(2)16-17-10(14)3/h5-8,12,15,18H,4H2,1-3H3,(H,16,17)
InChIKeyDGPMSQLSHRIOLX-UHFFFAOYSA-N
XLogP3.30
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol?
The IUPAC name of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol (CID 43547277) is 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol is CCC(Nc1c(C)n[nH]c1C)c1ccccc1O.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol?
The InChIKey is DGPMSQLSHRIOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-12(11-7-5-6-8-13(11)18)15-14-9(2)16-17-10(14)3/h5-8,12,15,18H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol?
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol is sourced from PubChem (CID 43547277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).