(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone

C15H20N4O2 — CID 115875027

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
SMILESCn1ncc(C(=O)N2CCCC(C)(O)C2)c1-n1cccc1
InChIInChI=1S/C15H20N4O2/c1-15(21)6-5-9-19(11-15)14(20)12-10-16-17(2)13(12)18-7-3-4-8-18/h3-4,7-8,10,21H,5-6,9,11H2,1-2H3
InChIKeyUFRBMSZYVWQPEN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.20
Rot. Bonds2

About (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone

(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone (PubChem CID 115875027) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
PubChem CID115875027
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
SMILESCn1ncc(C(=O)N2CCCC(C)(O)C2)c1-n1cccc1
InChIInChI=1S/C15H20N4O2/c1-15(21)6-5-9-19(11-15)14(20)12-10-16-17(2)13(12)18-7-3-4-8-18/h3-4,7-8,10,21H,5-6,9,11H2,1-2H3
InChIKeyUFRBMSZYVWQPEN-UHFFFAOYSA-N
XLogP1.20
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
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(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
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(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
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(1-chloroisoquinolin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
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1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
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1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
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N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone (CID 115875027) is (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone is Cn1ncc(C(=O)N2CCCC(C)(O)C2)c1-n1cccc1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The InChIKey is UFRBMSZYVWQPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(21)6-5-9-19(11-15)14(20)12-10-16-17(2)13(12)18-7-3-4-8-18/h3-4,7-8,10,21H,5-6,9,11H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 115875027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).