methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate

C11H13N5O2 — CID 114159121

IUPACmethyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)c2cn[nH]c2)n1
InChIInChI=1S/C11H13N5O2/c1-7(8-3-13-14-4-8)15-10-6-12-5-9(16-10)11(17)18-2/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyVCLIWHSPNBBYJT-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.16
Rot. Bonds4

About methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate

methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate (PubChem CID 114159121) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
PubChem CID114159121
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)c2cn[nH]c2)n1
InChIInChI=1S/C11H13N5O2/c1-7(8-3-13-14-4-8)15-10-6-12-5-9(16-10)11(17)18-2/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyVCLIWHSPNBBYJT-UHFFFAOYSA-N
XLogP1.16
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66457684
methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
CID 104828596
methyl 6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 66455747
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66456508
methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
CID 66456931
methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 106218801
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 114159167
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate
CID 106350395
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate (CID 114159121) is methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC(C)c2cn[nH]c2)n1.
What is the InChIKey of methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is VCLIWHSPNBBYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7(8-3-13-14-4-8)15-10-6-12-5-9(16-10)11(17)18-2/h3-7H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate?
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate has a molecular weight of 247.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 114159121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).