1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine

C14H18BrN5 — CID 107110322

IUPAC1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
SMILESCc1cc(N2CCC(n3ccc(N)n3)CC2)ncc1Br
InChIInChI=1S/C14H18BrN5/c1-10-8-14(17-9-12(10)15)19-5-2-11(3-6-19)20-7-4-13(16)18-20/h4,7-9,11H,2-3,5-6H2,1H3,(H2,16,18)
InChIKeyQHMQUQAPFOGJHF-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.77
Rot. Bonds2

About 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine

1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107110322) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107110322
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
SMILESCc1cc(N2CCC(n3ccc(N)n3)CC2)ncc1Br
InChIInChI=1S/C14H18BrN5/c1-10-8-14(17-9-12(10)15)19-5-2-11(3-6-19)20-7-4-13(16)18-20/h4,7-9,11H,2-3,5-6H2,1H3,(H2,16,18)
InChIKeyQHMQUQAPFOGJHF-UHFFFAOYSA-N
XLogP2.77
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine (CID 107110322) is 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine is Cc1cc(N2CCC(n3ccc(N)n3)CC2)ncc1Br.
What is the InChIKey of 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is QHMQUQAPFOGJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-10-8-14(17-9-12(10)15)19-5-2-11(3-6-19)20-7-4-13(16)18-20/h4,7-9,11H,2-3,5-6H2,1H3,(H2,16,18).
What are the key properties of 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 336.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107110322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).