1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine

C13H15Br2N5 — CID 107110309

IUPAC1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(c3ncc(Br)cc3Br)CC2)n1
InChIInChI=1S/C13H15Br2N5/c14-9-7-11(15)13(17-8-9)19-4-1-10(2-5-19)20-6-3-12(16)18-20/h3,6-8,10H,1-2,4-5H2,(H2,16,18)
InChIKeyTXFMWIBVPAANDE-UHFFFAOYSA-N
MW401.11 g/mol
LogP3.23
Rot. Bonds2

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

1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107110309) has the molecular formula C13H15Br2N5 and a molecular weight of 401.11 g/mol. Its IUPAC name is 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107110309
Molecular FormulaC13H15Br2N5
Molecular Weight401.11 g/mol
Exact Mass398.97
IUPAC Name1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(c3ncc(Br)cc3Br)CC2)n1
InChIInChI=1S/C13H15Br2N5/c14-9-7-11(15)13(17-8-9)19-4-1-10(2-5-19)20-6-3-12(16)18-20/h3,6-8,10H,1-2,4-5H2,(H2,16,18)
InChIKeyTXFMWIBVPAANDE-UHFFFAOYSA-N
XLogP3.23
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.11
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110322
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110311
5-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 107110581
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 107110213
5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
CID 61227700
4-tert-butyl-1-(3,5-dibromo-2-pyridinyl)azepane
CID 113413840
3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine
CID 102960994
8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
CID 113413836
6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine
CID 79530696
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
CID 79532624
2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 113413629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine (CID 107110309) is 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine is Nc1ccn(C2CCN(c3ncc(Br)cc3Br)CC2)n1.
What is the InChIKey of 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is TXFMWIBVPAANDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N5/c14-9-7-11(15)13(17-8-9)19-4-1-10(2-5-19)20-6-3-12(16)18-20/h3,6-8,10H,1-2,4-5H2,(H2,16,18).
What are the key properties of 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 401.11 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107110309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).