N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine

C15H21N3O — CID 55145955

IUPACN-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
SMILESCCCc1ccc(-c2cc(NCCOC)n[nH]2)cc1
InChIInChI=1S/C15H21N3O/c1-3-4-12-5-7-13(8-6-12)14-11-15(18-17-14)16-9-10-19-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyYZKMKNSBGONFGX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.09
Rot. Bonds7

About N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine

N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine (PubChem CID 55145955) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
PubChem CID55145955
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
SMILESCCCc1ccc(-c2cc(NCCOC)n[nH]2)cc1
InChIInChI=1S/C15H21N3O/c1-3-4-12-5-7-13(8-6-12)14-11-15(18-17-14)16-9-10-19-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyYZKMKNSBGONFGX-UHFFFAOYSA-N
XLogP3.09
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine (CID 55145955) is N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine is CCCc1ccc(-c2cc(NCCOC)n[nH]2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine?
The InChIKey is YZKMKNSBGONFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-12-5-7-13(8-6-12)14-11-15(18-17-14)16-9-10-19-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine?
N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine has a molecular weight of 259.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 55145955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).