(5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone

C10H14BrN3O — CID 175868540

IUPAC(5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C10H14BrN3O/c1-7-4-2-3-5-14(7)10(15)8-6-9(11)13-12-8/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyCTQHBJFPYNHFCB-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.19
Rot. Bonds1

About (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone

(5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 175868540) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID175868540
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C10H14BrN3O/c1-7-4-2-3-5-14(7)10(15)8-6-9(11)13-12-8/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyCTQHBJFPYNHFCB-UHFFFAOYSA-N
XLogP2.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone (CID 175868540) is (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc(Br)[nH]n1.
What is the InChIKey of (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is CTQHBJFPYNHFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7-4-2-3-5-14(7)10(15)8-6-9(11)13-12-8/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
(5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 272.15 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 175868540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).