2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride

C12H15ClFN3 — CID 146083081

IUPAC2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride
SMILESCl.Cn1nccc1C(N)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3.ClH/c1-16-12(6-7-15-16)11(14)8-9-2-4-10(13)5-3-9;/h2-7,11H,8,14H2,1H3;1H
InChIKeyRBJTWWUCNNYPFX-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride

2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride (PubChem CID 146083081) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride
PubChem CID146083081
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride
SMILESCl.Cn1nccc1C(N)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3.ClH/c1-16-12(6-7-15-16)11(14)8-9-2-4-10(13)5-3-9;/h2-7,11H,8,14H2,1H3;1H
InChIKeyRBJTWWUCNNYPFX-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride (CID 146083081) is 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride is Cl.Cn1nccc1C(N)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride?
The InChIKey is RBJTWWUCNNYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3.ClH/c1-16-12(6-7-15-16)11(14)8-9-2-4-10(13)5-3-9;/h2-7,11H,8,14H2,1H3;1H.
What are the key properties of 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride?
2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride has a molecular weight of 255.72 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 146083081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).