5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde

C12H15N3O2 — CID 177231217

IUPAC5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESCC/C=C/C(=O)N1CCn2ncc(C=O)c2C1
InChIInChI=1S/C12H15N3O2/c1-2-3-4-12(17)14-5-6-15-11(8-14)10(9-16)7-13-15/h3-4,7,9H,2,5-6,8H2,1H3/b4-3+
InChIKeyJMYPIWPGNRYGAG-ONEGZZNKSA-N
MW233.27 g/mol
LogP1.00
Rot. Bonds3

About 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde

5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde (PubChem CID 177231217) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde
PubChem CID177231217
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESCC/C=C/C(=O)N1CCn2ncc(C=O)c2C1
InChIInChI=1S/C12H15N3O2/c1-2-3-4-12(17)14-5-6-15-11(8-14)10(9-16)7-13-15/h3-4,7,9H,2,5-6,8H2,1H3/b4-3+
InChIKeyJMYPIWPGNRYGAG-ONEGZZNKSA-N
XLogP1.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(aziridin-1-yl)pent-2-en-1-one
CID 131245090
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 150811241
[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 163323414
(E)-1-[5-(1-methyl-4,5,6,7-tetrahydroindazole-5-carbonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pent-2-en-1-one
CID 166401046
2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid
CID 169193966
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hex-2-en-1-one
CID 177231617
1-[4-(1-hydroxy-2-methylquinolin-1-ium-4-yl)piperazin-1-yl]pent-2-en-1-one
CID 123257114
(E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one
CID 56949203
methyl 5-(2-chloroacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 166407985
2-[[(E)-4-(3-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-oxobut-2-enyl]-methylamino]acetic acid
CID 177230985
(E)-1-[2-(3,4-dichlorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-(dimethylamino)but-2-en-1-one
CID 170327848

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The IUPAC name of 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde (CID 177231217) is 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde is CC/C=C/C(=O)N1CCn2ncc(C=O)c2C1.
What is the InChIKey of 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The InChIKey is JMYPIWPGNRYGAG-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-4-12(17)14-5-6-15-11(8-14)10(9-16)7-13-15/h3-4,7,9H,2,5-6,8H2,1H3/b4-3+.
What are the key properties of 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde has a molecular weight of 233.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-2-enoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 177231217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).