5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine

C13H17N3O — CID 63266275

IUPAC5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine
SMILESCc1cc(N)n(CCCOc2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-11-10-13(14)16(15-11)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,14H2,1H3
InChIKeyKHAGLLOWWBEJRH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds5

About 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine

5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine (PubChem CID 63266275) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine
PubChem CID63266275
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine
SMILESCc1cc(N)n(CCCOc2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-11-10-13(14)16(15-11)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,14H2,1H3
InChIKeyKHAGLLOWWBEJRH-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine (CID 63266275) is 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine is Cc1cc(N)n(CCCOc2ccccc2)n1.
What is the InChIKey of 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine?
The InChIKey is KHAGLLOWWBEJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11-10-13(14)16(15-11)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,14H2,1H3.
What are the key properties of 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine?
5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine is sourced from PubChem (CID 63266275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).