1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone

C17H22N4O — CID 118739875

IUPAC1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(-c3ccnn3C)n2)CC1
InChIInChI=1S/C17H22N4O/c1-13(22)21-10-7-14(8-11-21)12-15-4-3-5-16(19-15)17-6-9-18-20(17)2/h3-6,9,14H,7-8,10-12H2,1-2H3
InChIKeyMGFAERRBZMBHSN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.28
Rot. Bonds3

About 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 118739875) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID118739875
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(-c3ccnn3C)n2)CC1
InChIInChI=1S/C17H22N4O/c1-13(22)21-10-7-14(8-11-21)12-15-4-3-5-16(19-15)17-6-9-18-20(17)2/h3-6,9,14H,7-8,10-12H2,1-2H3
InChIKeyMGFAERRBZMBHSN-UHFFFAOYSA-N
XLogP2.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FR-194921
CID 9821511
Cholesterol 24-hydroxylase-IN-1
CID 118450616
US11213520, Example I-015
CID 139519627
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanone
CID 22262550
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450728
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
6-(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one
CID 10544406

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 118739875) is 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cccc(-c3ccnn3C)n2)CC1.
What is the InChIKey of 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is MGFAERRBZMBHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(22)21-10-7-14(8-11-21)12-15-4-3-5-16(19-15)17-6-9-18-20(17)2/h3-6,9,14H,7-8,10-12H2,1-2H3.
What are the key properties of 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118739875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).