3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one

C10H13N5O — CID 62929914

IUPAC3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(-n2ccc(N)n2)c1=O
InChIInChI=1S/C10H13N5O/c1-7(2)14-6-4-12-9(10(14)16)15-5-3-8(11)13-15/h3-7H,1-2H3,(H2,11,13)
InChIKeySKYUPZGQBRJLMR-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.59
Rot. Bonds2

About 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one

3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one (PubChem CID 62929914) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one
PubChem CID62929914
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(-n2ccc(N)n2)c1=O
InChIInChI=1S/C10H13N5O/c1-7(2)14-6-4-12-9(10(14)16)15-5-3-8(11)13-15/h3-7H,1-2H3,(H2,11,13)
InChIKeySKYUPZGQBRJLMR-UHFFFAOYSA-N
XLogP0.59
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126628665
N'-hydroxy-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)pyrrole-2-carboximidamide
CID 114655175
3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 63339161
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 106837230
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-[3-(bromomethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 80679392
3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one
CID 79112198
1-(3-methylquinoxalin-2-yl)pyrazol-3-amine
CID 62375532
1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine
CID 104733191
1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carbaldehyde
CID 62927336
3-[4-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 62939431
3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1-propan-2-ylpyrazin-2-one
CID 62929880

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one (CID 62929914) is 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(-n2ccc(N)n2)c1=O.
What is the InChIKey of 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one?
The InChIKey is SKYUPZGQBRJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(2)14-6-4-12-9(10(14)16)15-5-3-8(11)13-15/h3-7H,1-2H3,(H2,11,13).
What are the key properties of 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one?
3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one has a molecular weight of 219.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrazol-1-yl)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62929914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).