1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine

C14H19N3O — CID 62137722

IUPAC1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOCCCc2ccccc2)c1
InChIInChI=1S/C14H19N3O/c15-14-11-16-17(12-14)8-10-18-9-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10,15H2
InChIKeyCBUPHMSQAKXGLN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds7

About 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine

1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine (PubChem CID 62137722) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
PubChem CID62137722
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOCCCc2ccccc2)c1
InChIInChI=1S/C14H19N3O/c15-14-11-16-17(12-14)8-10-18-9-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10,15H2
InChIKeyCBUPHMSQAKXGLN-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
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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Related Compounds

1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
CID 142144905
1-[2-(2-methylpropoxy)ethyl]pyrazol-4-amine
CID 62138272
1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
CID 62139197
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
CID 114608509
1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine
CID 83536334
1-(2-cyclopropyloxyethyl)pyrazol-4-amine
CID 165480106
1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine
CID 83532506
2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine
CID 103482340
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
CID 59479881
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine (CID 62137722) is 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine is Nc1cnn(CCOCCCc2ccccc2)c1.
What is the InChIKey of 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine?
The InChIKey is CBUPHMSQAKXGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-14-11-16-17(12-14)8-10-18-9-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10,15H2.
What are the key properties of 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine?
1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62137722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).