1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine

C16H21N3 — CID 79170870

IUPAC1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C16H21N3/c1-3-17-12(2)14-5-4-6-15(11-14)19-10-9-16(18-19)13-7-8-13/h4-6,9-13,17H,3,7-8H2,1-2H3
InChIKeyHYZCFJBYIASCGH-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.42
Rot. Bonds5

About 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine

1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine (PubChem CID 79170870) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
PubChem CID79170870
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C16H21N3/c1-3-17-12(2)14-5-4-6-15(11-14)19-10-9-16(18-19)13-7-8-13/h4-6,9-13,17H,3,7-8H2,1-2H3
InChIKeyHYZCFJBYIASCGH-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine 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 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine (CID 79170870) is 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(-n2ccc(C3CC3)n2)c1.
What is the InChIKey of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is HYZCFJBYIASCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-17-12(2)14-5-4-6-15(11-14)19-10-9-16(18-19)13-7-8-13/h4-6,9-13,17H,3,7-8H2,1-2H3.
What are the key properties of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine?
1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 79170870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).