(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

C12H18BrN3O — CID 35762905

IUPAC(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2c(Br)cnn2C)C1
InChIInChI=1S/C12H18BrN3O/c1-8-4-9(2)7-16(6-8)12(17)11-10(13)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyFVBOPDIVIOQDAG-RKDXNWHRSA-N
MW300.20 g/mol
LogP2.30
Rot. Bonds1

About (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 35762905) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID35762905
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2c(Br)cnn2C)C1
InChIInChI=1S/C12H18BrN3O/c1-8-4-9(2)7-16(6-8)12(17)11-10(13)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyFVBOPDIVIOQDAG-RKDXNWHRSA-N
XLogP2.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone with MolForge

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Related Compounds

5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid
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CID 115814808
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
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CID 56725204
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CID 103874986
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
[4-(1-adamantyl)-3,5-dimethylpyrazol-1-yl]-(4-bromo-1-methylpyrazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone (CID 35762905) is (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone is C[C@@H]1C[C@@H](C)CN(C(=O)c2c(Br)cnn2C)C1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is FVBOPDIVIOQDAG-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-4-9(2)7-16(6-8)12(17)11-10(13)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone?
(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 300.20 g/mol, XLogP of 2.30, 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-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 35762905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).