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

C10H14BrN3O — CID 56725958

IUPAC(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2[nH]ncc2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-7-3-2-4-14(6-7)10(15)9-8(11)5-12-13-9/h5,7H,2-4,6H2,1H3,(H,12,13)
InChIKeyLEVPZVFMKRQPKL-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.04
Rot. Bonds1

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

(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 56725958) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID56725958
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2[nH]ncc2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-7-3-2-4-14(6-7)10(15)9-8(11)5-12-13-9/h5,7H,2-4,6H2,1H3,(H,12,13)
InChIKeyLEVPZVFMKRQPKL-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1H-pyrazol-5-yl)-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 97317085
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63102325
N-(4-cyano-1H-pyrazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 79503954
(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605171
(5-iodo-1H-pyrazol-4-yl)-(4-methylazepan-1-yl)methanone
CID 126824528
(4-amino-1H-pyrazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954850
[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 91952980

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone (CID 56725958) is (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2[nH]ncc2Br)C1.
What is the InChIKey of (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is LEVPZVFMKRQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7-3-2-4-14(6-7)10(15)9-8(11)5-12-13-9/h5,7H,2-4,6H2,1H3,(H,12,13).
What are the key properties of (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 272.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 56725958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).