2-(1-phenylpyrazol-4-yl)ethanamine

C11H13N3 — CID 6484139

IUPAC2-(1-phenylpyrazol-4-yl)ethanamine
SMILESNCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H13N3/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7,12H2
InChIKeyXCVXHLSNYSXXEO-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.37
Rot. Bonds3

About 2-(1-phenylpyrazol-4-yl)ethanamine

2-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 6484139) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID6484139
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(1-phenylpyrazol-4-yl)ethanamine
SMILESNCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H13N3/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7,12H2
InChIKeyXCVXHLSNYSXXEO-UHFFFAOYSA-N
XLogP1.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)ethanamine (CID 6484139) is 2-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)ethanamine is NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is XCVXHLSNYSXXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7,12H2.
What are the key properties of 2-(1-phenylpyrazol-4-yl)ethanamine?
2-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 187.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 6484139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).