2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine

C11H11ClFN3 — CID 83898604

IUPAC2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine
SMILESNCCc1c(Cl)cnn1-c1ccc(F)cc1
InChIInChI=1S/C11H11ClFN3/c12-10-7-15-16(11(10)5-6-14)9-3-1-8(13)2-4-9/h1-4,7H,5-6,14H2
InChIKeyOSOSQXHYTXYILH-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.17
Rot. Bonds3

About 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine

2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine (PubChem CID 83898604) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine
PubChem CID83898604
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine
SMILESNCCc1c(Cl)cnn1-c1ccc(F)cc1
InChIInChI=1S/C11H11ClFN3/c12-10-7-15-16(11(10)5-6-14)9-3-1-8(13)2-4-9/h1-4,7H,5-6,14H2
InChIKeyOSOSQXHYTXYILH-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine
CID 115068487
2-[4-chloro-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 83898598
2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine
CID 115047522
[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
CID 115068469
2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072636
4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
CID 66436383
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291486
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
CID 115069471
5-(2-aminoethyl)-2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 136999576
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine
CID 115045090
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine (CID 83898604) is 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine is NCCc1c(Cl)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine?
The InChIKey is OSOSQXHYTXYILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c12-10-7-15-16(11(10)5-6-14)9-3-1-8(13)2-4-9/h1-4,7H,5-6,14H2.
What are the key properties of 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine?
2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine has a molecular weight of 239.68 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine is sourced from PubChem (CID 83898604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).