2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine

C14H17N3 — CID 84691343

IUPAC2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
SMILESNCCc1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C14H17N3/c15-8-6-11-2-1-3-13(10-11)17-14(7-9-16-17)12-4-5-12/h1-3,7,9-10,12H,4-6,8,15H2
InChIKeyWSJOGMLBGKJBFP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.25
Rot. Bonds4

About 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine

2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 84691343) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
PubChem CID84691343
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
SMILESNCCc1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C14H17N3/c15-8-6-11-2-1-3-13(10-11)17-14(7-9-16-17)12-4-5-12/h1-3,7,9-10,12H,4-6,8,15H2
InChIKeyWSJOGMLBGKJBFP-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine (CID 84691343) is 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine is NCCc1cccc(-n2nccc2C2CC2)c1.
What is the InChIKey of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is WSJOGMLBGKJBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-8-6-11-2-1-3-13(10-11)17-14(7-9-16-17)12-4-5-12/h1-3,7,9-10,12H,4-6,8,15H2.
What are the key properties of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine?
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 84691343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).