(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone

C10H14BrN3O — CID 102962456

IUPAC(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone
SMILESCC1CCN(C(=O)c2ccn[nH]2)CC1Br
InChIInChI=1S/C10H14BrN3O/c1-7-3-5-14(6-8(7)11)10(15)9-2-4-12-13-9/h2,4,7-8H,3,5-6H2,1H3,(H,12,13)
InChIKeyNKHHRMHGMSONHM-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.66
Rot. Bonds1

About (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone

(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone (PubChem CID 102962456) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone
PubChem CID102962456
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone
SMILESCC1CCN(C(=O)c2ccn[nH]2)CC1Br
InChIInChI=1S/C10H14BrN3O/c1-7-3-5-14(6-8(7)11)10(15)9-2-4-12-13-9/h2,4,7-8H,3,5-6H2,1H3,(H,12,13)
InChIKeyNKHHRMHGMSONHM-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
(6-bromo-1,4-oxazepan-4-yl)-(1H-pyrazol-5-yl)methanone
CID 130940185
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
CID 102962435
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119544034
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119645537

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone?
The IUPAC name of (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone (CID 102962456) is (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone is CC1CCN(C(=O)c2ccn[nH]2)CC1Br.
What is the InChIKey of (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone?
The InChIKey is NKHHRMHGMSONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7-3-5-14(6-8(7)11)10(15)9-2-4-12-13-9/h2,4,7-8H,3,5-6H2,1H3,(H,12,13).
What are the key properties of (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone?
(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone has a molecular weight of 272.15 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 102962456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).