5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene

C13H17ClN4O — CID 91235915

IUPAC5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene
SMILESC=CC.CCn1c(C)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C10H11ClN4O.C3H6/c1-3-14-7(2)8(11)13-9(10(14)16)15-6-4-5-12-15;1-3-2/h4-6H,3H2,1-2H3;3H,1H2,2H3
InChIKeyBNRPEGRRGCZTOR-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.60
Rot. Bonds2

About 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene

5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene (PubChem CID 91235915) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene.

Molecular Properties

Compound Name5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene
PubChem CID91235915
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene
SMILESC=CC.CCn1c(C)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C10H11ClN4O.C3H6/c1-3-14-7(2)8(11)13-9(10(14)16)15-6-4-5-12-15;1-3-2/h4-6H,3H2,1-2H3;3H,1H2,2H3
InChIKeyBNRPEGRRGCZTOR-UHFFFAOYSA-N
XLogP2.60
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-Pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
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5-Chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one
CID 127040731
6-Tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
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5-Chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 127041176
(2S)-N,N-dipropyl-2-pyrazol-1-ylpropanamide
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1-(2-Oxopentan-3-yl)-3-(2-pyrazol-1-ylethylamino)pyrazin-2-one
CID 22969696
5-Chloro-6-(1-methylpropyl)-1-(2-methylpropyl)-3-(1H-pyrazol-1-yl)-2(1H)-pyrazinone
CID 57432943
5-Chloro-6-methyl-1-(propan-2-ylamino)-3-pyrazol-1-ylpyrazin-2-one
CID 57787075
5-Chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one
CID 57787078
1-Butyl-5-chloro-6-methyl-3-pyrazol-1-ylpyrazin-2-one
CID 57787080
5-Chloro-6-methyl-1-(2-methylbutyl)-3-pyrazol-1-ylpyrazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene?
The IUPAC name of 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene (CID 91235915) is 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene.
What is the SMILES notation for 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene?
The canonical SMILES for 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene is C=CC.CCn1c(C)c(Cl)nc(-n2cccn2)c1=O.
What is the InChIKey of 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene?
The InChIKey is BNRPEGRRGCZTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O.C3H6/c1-3-14-7(2)8(11)13-9(10(14)16)15-6-4-5-12-15;1-3-2/h4-6H,3H2,1-2H3;3H,1H2,2H3.
What are the key properties of 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene?
5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene has a molecular weight of 280.76 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene is sourced from PubChem (CID 91235915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).