methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate

C10H8N6O2 — CID 107346238

IUPACmethyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2nccnc2C#N)cc1N
InChIInChI=1S/C10H8N6O2/c1-18-10(17)8-6(12)5-16(15-8)9-7(4-11)13-2-3-14-9/h2-3,5H,12H2,1H3
InChIKeyFNJLBXMTMBLURJ-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.10
Rot. Bonds2

About methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate

methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate (PubChem CID 107346238) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate
PubChem CID107346238
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Namemethyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2nccnc2C#N)cc1N
InChIInChI=1S/C10H8N6O2/c1-18-10(17)8-6(12)5-16(15-8)9-7(4-11)13-2-3-14-9/h2-3,5H,12H2,1H3
InChIKeyFNJLBXMTMBLURJ-UHFFFAOYSA-N
XLogP-0.10
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate
CID 107346297
methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate
CID 107346260
methyl 4-amino-1-(3-chloro-4-cyanophenyl)pyrazole-3-carboxylate
CID 107346194
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide
CID 107346407
methyl 4-amino-2-cyanopyridine-3-carboxylate
CID 130935671
methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
CID 107346189
methyl 4-amino-1-(4-methylphthalazin-1-yl)pyrazole-3-carboxylate
CID 107346184
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)pyridine-2-carboxylate
CID 107346534
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate (CID 107346238) is methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2nccnc2C#N)cc1N.
What is the InChIKey of methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate?
The InChIKey is FNJLBXMTMBLURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c1-18-10(17)8-6(12)5-16(15-8)9-7(4-11)13-2-3-14-9/h2-3,5H,12H2,1H3.
What are the key properties of methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate?
methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate has a molecular weight of 244.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).