1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine

C14H16BrFN4 — CID 114697836

IUPAC1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2cc(-c3ccc(F)c(Br)c3)[nH]n2)C1
InChIInChI=1S/C14H16BrFN4/c15-11-6-9(3-4-12(11)16)13-7-14(19-18-13)20-5-1-2-10(17)8-20/h3-4,6-7,10H,1-2,5,8,17H2,(H,18,19)
InChIKeyHBOITBSVDWABEH-UHFFFAOYSA-N
MW339.21 g/mol
LogP2.91
Rot. Bonds2

About 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine

1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine (PubChem CID 114697836) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
PubChem CID114697836
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2cc(-c3ccc(F)c(Br)c3)[nH]n2)C1
InChIInChI=1S/C14H16BrFN4/c15-11-6-9(3-4-12(11)16)13-7-14(19-18-13)20-5-1-2-10(17)8-20/h3-4,6-7,10H,1-2,5,8,17H2,(H,18,19)
InChIKeyHBOITBSVDWABEH-UHFFFAOYSA-N
XLogP2.91
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697789
1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771507
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509
1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 114697472
1-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697799
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697676
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532
1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697842
1-[5-(3-bromo-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 107950153
1-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794368
1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 112707624

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine (CID 114697836) is 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine is NC1CCCN(c2cc(-c3ccc(F)c(Br)c3)[nH]n2)C1.
What is the InChIKey of 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine?
The InChIKey is HBOITBSVDWABEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c15-11-6-9(3-4-12(11)16)13-7-14(19-18-13)20-5-1-2-10(17)8-20/h3-4,6-7,10H,1-2,5,8,17H2,(H,18,19).
What are the key properties of 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine?
1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine has a molecular weight of 339.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 114697836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).