(4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone

C10H14BrN3O — CID 844633

IUPAC(4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
SMILESCn1cc(Br)c(C(=O)N2CCCCC2)n1
InChIInChI=1S/C10H14BrN3O/c1-13-7-8(11)9(12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyFTMDXIHDUJYHIY-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.81
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone

(4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 844633) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
PubChem CID844633
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
SMILESCn1cc(Br)c(C(=O)N2CCCCC2)n1
InChIInChI=1S/C10H14BrN3O/c1-13-7-8(11)9(12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyFTMDXIHDUJYHIY-UHFFFAOYSA-N
XLogP1.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone (CID 844633) is (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone is Cn1cc(Br)c(C(=O)N2CCCCC2)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is FTMDXIHDUJYHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-13-7-8(11)9(12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone?
(4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 272.15 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 844633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).