5-(4-aminopyrazol-1-yl)piperidin-2-one

C8H12N4O — CID 67076055

IUPAC5-(4-aminopyrazol-1-yl)piperidin-2-one
SMILESNc1cnn(C2CCC(=O)NC2)c1
InChIInChI=1S/C8H12N4O/c9-6-3-11-12(5-6)7-1-2-8(13)10-4-7/h3,5,7H,1-2,4,9H2,(H,10,13)
InChIKeyPXLUSILRNMCAHZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.08
Rot. Bonds1

About 5-(4-aminopyrazol-1-yl)piperidin-2-one

5-(4-aminopyrazol-1-yl)piperidin-2-one (PubChem CID 67076055) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(4-aminopyrazol-1-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-aminopyrazol-1-yl)piperidin-2-one
PubChem CID67076055
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-(4-aminopyrazol-1-yl)piperidin-2-one
SMILESNc1cnn(C2CCC(=O)NC2)c1
InChIInChI=1S/C8H12N4O/c9-6-3-11-12(5-6)7-1-2-8(13)10-4-7/h3,5,7H,1-2,4,9H2,(H,10,13)
InChIKeyPXLUSILRNMCAHZ-UHFFFAOYSA-N
XLogP-0.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
CID 51114235
2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
3-(4-amino-1H-pyrazol-1-yl)pyrrolidin-2-one
CID 137698641
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 51098378
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383
1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 53574326

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopyrazol-1-yl)piperidin-2-one?
The IUPAC name of 5-(4-aminopyrazol-1-yl)piperidin-2-one (CID 67076055) is 5-(4-aminopyrazol-1-yl)piperidin-2-one.
What is the SMILES notation for 5-(4-aminopyrazol-1-yl)piperidin-2-one?
The canonical SMILES for 5-(4-aminopyrazol-1-yl)piperidin-2-one is Nc1cnn(C2CCC(=O)NC2)c1.
What is the InChIKey of 5-(4-aminopyrazol-1-yl)piperidin-2-one?
The InChIKey is PXLUSILRNMCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-3-11-12(5-6)7-1-2-8(13)10-4-7/h3,5,7H,1-2,4,9H2,(H,10,13).
What are the key properties of 5-(4-aminopyrazol-1-yl)piperidin-2-one?
5-(4-aminopyrazol-1-yl)piperidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopyrazol-1-yl)piperidin-2-one is sourced from PubChem (CID 67076055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).