[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone

C14H16BrN5O — CID 107108777

IUPAC[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
SMILESNc1ccn(C2CCN(C(=O)c3cncc(Br)c3)CC2)n1
InChIInChI=1S/C14H16BrN5O/c15-11-7-10(8-17-9-11)14(21)19-4-1-12(2-5-19)20-6-3-13(16)18-20/h3,6-9,12H,1-2,4-5H2,(H2,16,18)
InChIKeyCAHDKZVKPWOZQS-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.10
Rot. Bonds2

About [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone

[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone (PubChem CID 107108777) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
PubChem CID107108777
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
SMILESNc1ccn(C2CCN(C(=O)c3cncc(Br)c3)CC2)n1
InChIInChI=1S/C14H16BrN5O/c15-11-7-10(8-17-9-11)14(21)19-4-1-12(2-5-19)20-6-3-13(16)18-20/h3,6-9,12H,1-2,4-5H2,(H2,16,18)
InChIKeyCAHDKZVKPWOZQS-UHFFFAOYSA-N
XLogP2.10
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 60735608
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 107109147
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
CID 107108865
(5-bromo-3-pyridinyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586983
1-[1-(3,5-dibromo-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110309

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone?
The IUPAC name of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone (CID 107108777) is [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone.
What is the SMILES notation for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone?
The canonical SMILES for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone is Nc1ccn(C2CCN(C(=O)c3cncc(Br)c3)CC2)n1.
What is the InChIKey of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone?
The InChIKey is CAHDKZVKPWOZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c15-11-7-10(8-17-9-11)14(21)19-4-1-12(2-5-19)20-6-3-13(16)18-20/h3,6-9,12H,1-2,4-5H2,(H2,16,18).
What are the key properties of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone?
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone has a molecular weight of 350.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone is sourced from PubChem (CID 107108777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).