1-(4-pyrazol-1-ylphenyl)ethanamine

C11H13N3 — CID 16640544

IUPAC1-(4-pyrazol-1-ylphenyl)ethanamine
SMILESCC(N)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H13N3/c1-9(12)10-3-5-11(6-4-10)14-8-2-7-13-14/h2-9H,12H2,1H3
InChIKeyBCWSPVPPKRRCPI-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.89
Rot. Bonds2

About 1-(4-pyrazol-1-ylphenyl)ethanamine

1-(4-pyrazol-1-ylphenyl)ethanamine (PubChem CID 16640544) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(4-pyrazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-pyrazol-1-ylphenyl)ethanamine
PubChem CID16640544
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-(4-pyrazol-1-ylphenyl)ethanamine
SMILESCC(N)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H13N3/c1-9(12)10-3-5-11(6-4-10)14-8-2-7-13-14/h2-9H,12H2,1H3
InChIKeyBCWSPVPPKRRCPI-UHFFFAOYSA-N
XLogP1.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazol-1-ylphenyl)ethanamine?
The IUPAC name of 1-(4-pyrazol-1-ylphenyl)ethanamine (CID 16640544) is 1-(4-pyrazol-1-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-pyrazol-1-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-pyrazol-1-ylphenyl)ethanamine is CC(N)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(4-pyrazol-1-ylphenyl)ethanamine?
The InChIKey is BCWSPVPPKRRCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9(12)10-3-5-11(6-4-10)14-8-2-7-13-14/h2-9H,12H2,1H3.
What are the key properties of 1-(4-pyrazol-1-ylphenyl)ethanamine?
1-(4-pyrazol-1-ylphenyl)ethanamine has a molecular weight of 187.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 16640544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).