formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C15H20N4O3 — CID 154909278

IUPACformic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(CN2CCn3nc(C)cc3C2)cn1.O=CO
InChIInChI=1S/C14H18N4O.CH2O2/c1-11-7-13-10-17(5-6-18(13)16-11)9-12-3-4-14(19-2)15-8-12;2-1-3/h3-4,7-8H,5-6,9-10H2,1-2H3;1H,(H,2,3)
InChIKeyRNXYFJUKGYJDHZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.31
Rot. Bonds3

About formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 154909278) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Nameformic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID154909278
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameformic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(CN2CCn3nc(C)cc3C2)cn1.O=CO
InChIInChI=1S/C14H18N4O.CH2O2/c1-11-7-13-10-17(5-6-18(13)16-11)9-12-3-4-14(19-2)15-8-12;2-1-3/h3-4,7-8H,5-6,9-10H2,1-2H3;1H,(H,2,3)
InChIKeyRNXYFJUKGYJDHZ-UHFFFAOYSA-N
XLogP1.31
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
1-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 134706407
2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122663135
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185138
4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
CID 146626077
4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 175649513
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 154909278) is formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is COc1ccc(CN2CCn3nc(C)cc3C2)cn1.O=CO.
What is the InChIKey of formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is RNXYFJUKGYJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.CH2O2/c1-11-7-13-10-17(5-6-18(13)16-11)9-12-3-4-14(19-2)15-8-12;2-1-3/h3-4,7-8H,5-6,9-10H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 304.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 154909278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).