1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine

C14H19N3O2 — CID 63311244

IUPAC1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCOCCOc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c15-14-7-9-17(16-14)8-4-10-18-11-12-19-13-5-2-1-3-6-13/h1-3,5-7,9H,4,8,10-12H2,(H2,15,16)
InChIKeyNHBORYSVIJNGGB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.95
Rot. Bonds8

About 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine

1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine (PubChem CID 63311244) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine
PubChem CID63311244
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCOCCOc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c15-14-7-9-17(16-14)8-4-10-18-11-12-19-13-5-2-1-3-6-13/h1-3,5-7,9H,4,8,10-12H2,(H2,15,16)
InChIKeyNHBORYSVIJNGGB-UHFFFAOYSA-N
XLogP1.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine
CID 63311157
1-(3-heptoxypropyl)pyrazol-3-amine
CID 63311023
4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide
CID 63310936
1-[3-(2-bromophenoxy)propyl]pyrazol-3-amine
CID 63311464
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]pyrazol-3-amine
CID 55205423
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
1-(3-phenoxypropyl)pyrazole
CID 55028379
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
CID 55205458
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine
CID 175527652
1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine
CID 63311289

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine (CID 63311244) is 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine is Nc1ccn(CCCOCCOc2ccccc2)n1.
What is the InChIKey of 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine?
The InChIKey is NHBORYSVIJNGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14-7-9-17(16-14)8-4-10-18-11-12-19-13-5-2-1-3-6-13/h1-3,5-7,9H,4,8,10-12H2,(H2,15,16).
What are the key properties of 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine?
1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine has a molecular weight of 261.32 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine is sourced from PubChem (CID 63311244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).