1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine

C13H14BrFN4 — CID 114697472

IUPAC1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2cc(-c3cc(Br)ccc3F)[nH]n2)C1
InChIInChI=1S/C13H14BrFN4/c14-8-1-2-11(15)10(5-8)12-6-13(18-17-12)19-4-3-9(16)7-19/h1-2,5-6,9H,3-4,7,16H2,(H,17,18)
InChIKeyAKHSWIIITYSHPT-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.52
Rot. Bonds2

About 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine

1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine (PubChem CID 114697472) has the molecular formula C13H14BrFN4 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
PubChem CID114697472
Molecular FormulaC13H14BrFN4
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2cc(-c3cc(Br)ccc3F)[nH]n2)C1
InChIInChI=1S/C13H14BrFN4/c14-8-1-2-11(15)10(5-8)12-6-13(18-17-12)19-4-3-9(16)7-19/h1-2,5-6,9H,3-4,7,16H2,(H,17,18)
InChIKeyAKHSWIIITYSHPT-UHFFFAOYSA-N
XLogP2.52
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.52
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-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697836
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
1-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697799
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697676
1-(5-bromo-2-fluorophenyl)piperidin-4-amine
CID 43555767
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793125
1-[5-(2,4-dibromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 107938625
1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 114697624
1-[5-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793980
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine (CID 114697472) is 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine is NC1CCN(c2cc(-c3cc(Br)ccc3F)[nH]n2)C1.
What is the InChIKey of 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The InChIKey is AKHSWIIITYSHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4/c14-8-1-2-11(15)10(5-8)12-6-13(18-17-12)19-4-3-9(16)7-19/h1-2,5-6,9H,3-4,7,16H2,(H,17,18).
What are the key properties of 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine?
1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine has a molecular weight of 325.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 114697472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).