2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone

C17H22N4O — CID 58029498

IUPAC2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone
SMILESCC1CCN(CC(=O)c2ccccc2)C(c2cc(N)n[nH]2)C1
InChIInChI=1S/C17H22N4O/c1-12-7-8-21(11-16(22)13-5-3-2-4-6-13)15(9-12)14-10-17(18)20-19-14/h2-6,10,12,15H,7-9,11H2,1H3,(H3,18,19,20)
InChIKeyUFFGKMXOGFERNR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone

2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone (PubChem CID 58029498) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone
PubChem CID58029498
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone
SMILESCC1CCN(CC(=O)c2ccccc2)C(c2cc(N)n[nH]2)C1
InChIInChI=1S/C17H22N4O/c1-12-7-8-21(11-16(22)13-5-3-2-4-6-13)15(9-12)14-10-17(18)20-19-14/h2-6,10,12,15H,7-9,11H2,1H3,(H3,18,19,20)
InChIKeyUFFGKMXOGFERNR-UHFFFAOYSA-N
XLogP2.65
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811418
N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20918275
2-[4-(4-fluoro-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24811300
1-benzyl-4-(3-cyclopropyl-1H-pyrazole-5-carbonyl)piperazine
CID 20906513
(3S,6S)-3,6-diisobutyl-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 60142506
(5-benzyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 169082716
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 45249790
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 47023330
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 47023331
(4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 47059580
4-methyl-N-(1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl)cyclohexanecarboxamide
CID 49665580
2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 51096071

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone (CID 58029498) is 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone is CC1CCN(CC(=O)c2ccccc2)C(c2cc(N)n[nH]2)C1.
What is the InChIKey of 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone?
The InChIKey is UFFGKMXOGFERNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-7-8-21(11-16(22)13-5-3-2-4-6-13)15(9-12)14-10-17(18)20-19-14/h2-6,10,12,15H,7-9,11H2,1H3,(H3,18,19,20).
What are the key properties of 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone?
2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone has a molecular weight of 298.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 58029498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).