3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine

C14H15BrFN3 — CID 114069334

IUPAC3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine
SMILESNc1cn(C2CCCC2)nc1-c1ccc(F)cc1Br
InChIInChI=1S/C14H15BrFN3/c15-12-7-9(16)5-6-11(12)14-13(17)8-19(18-14)10-3-1-2-4-10/h5-8,10H,1-4,17H2
InChIKeyARKCJYDXMOIYFP-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.15
Rot. Bonds2

About 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine

3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine (PubChem CID 114069334) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine
PubChem CID114069334
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine
SMILESNc1cn(C2CCCC2)nc1-c1ccc(F)cc1Br
InChIInChI=1S/C14H15BrFN3/c15-12-7-9(16)5-6-11(12)14-13(17)8-19(18-14)10-3-1-2-4-10/h5-8,10H,1-4,17H2
InChIKeyARKCJYDXMOIYFP-UHFFFAOYSA-N
XLogP4.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine hydrochloride
CID 44630919
Pyrazole, 4-amino-1-methyl-5-phenyl-, hydrochloride
CID 3021887
3-(4-Bromophenyl)-1-methyl-1H-pyrazole
CID 2819635
1-methyl-5-phenyl-1H-pyrazol-4-amine
CID 3021888
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 6483867
3-(3-Bromophenyl)-1-methyl-1H-pyrazole
CID 22329555
1-methyl-3-phenyl-1H-pyrazol-4-amine
CID 58911837
1-(2-Bromobenzyl)-4-phenyl-1H-1,2,3-triazole
CID 14612077
5-(2-Bromophenyl)-1-methyl-1H-pyrazole
CID 82621101

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine (CID 114069334) is 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine is Nc1cn(C2CCCC2)nc1-c1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine?
The InChIKey is ARKCJYDXMOIYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c15-12-7-9(16)5-6-11(12)14-13(17)8-19(18-14)10-3-1-2-4-10/h5-8,10H,1-4,17H2.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine?
3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine is sourced from PubChem (CID 114069334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).