methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate

C12H15N5O2 — CID 113247403

IUPACmethyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCCn2cccn2)n1
InChIInChI=1S/C12H15N5O2/c1-19-12(18)10-8-13-9-11(16-10)14-4-2-6-17-7-3-5-15-17/h3,5,7-9H,2,4,6H2,1H3,(H,14,16)
InChIKeyVJPZEMQLFOTAHG-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.96
Rot. Bonds6

About methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate

methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate (PubChem CID 113247403) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
PubChem CID113247403
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Namemethyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCCn2cccn2)n1
InChIInChI=1S/C12H15N5O2/c1-19-12(18)10-8-13-9-11(16-10)14-4-2-6-17-7-3-5-15-17/h3,5,7-9H,2,4,6H2,1H3,(H,14,16)
InChIKeyVJPZEMQLFOTAHG-UHFFFAOYSA-N
XLogP0.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66456102
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
CID 66457699
methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
methyl 6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazine-2-carboxylate
CID 66455940
ethyl 5-methyl-2-(3-pyrazol-1-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 116527096
methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate
CID 66455911
N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide
CID 115690608
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate (CID 113247403) is methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NCCCn2cccn2)n1.
What is the InChIKey of methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate?
The InChIKey is VJPZEMQLFOTAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-19-12(18)10-8-13-9-11(16-10)14-4-2-6-17-7-3-5-15-17/h3,5,7-9H,2,4,6H2,1H3,(H,14,16).
What are the key properties of methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate?
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 113247403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).