3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one

C9H14N4O — CID 54595667

IUPAC3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(N)C2=O)n1
InChIInChI=1S/C9H14N4O/c1-12-6-4-8(11-12)13-5-2-3-7(10)9(13)14/h4,6-7H,2-3,5,10H2,1H3
InChIKeyGXVJMKKKYNEMNA-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.13
Rot. Bonds1

About 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one

3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 54595667) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID54595667
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(N)C2=O)n1
InChIInChI=1S/C9H14N4O/c1-12-6-4-8(11-12)13-5-2-3-7(10)9(13)14/h4,6-7H,2-3,5,10H2,1H3
InChIKeyGXVJMKKKYNEMNA-UHFFFAOYSA-N
XLogP-0.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46981191
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CID 71924741
3-[(1-Methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 71981220
3-[3-[(2-Oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile
CID 84587066
2-(3-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 54594517
3-amino-1-(1-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 54594097
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-(1-isopropyl-5-pyrazolyl)aminoacetamide
CID 60718943
2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undec-9-yl)-N-(1-methyl-1H-pyrazol-3-yl)acetamide
CID 70753964
1-{2-[(1-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-D-prolinamide
CID 91842053
N-(1-methylpyrazol-3-yl)-2-oxo-2-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]acetamide
CID 96416753
(2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one (CID 54595667) is 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one is Cn1ccc(N2CCCC(N)C2=O)n1.
What is the InChIKey of 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is GXVJMKKKYNEMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-6-4-8(11-12)13-5-2-3-7(10)9(13)14/h4,6-7H,2-3,5,10H2,1H3.
What are the key properties of 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one?
3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 54595667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).