tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H23N5O2 — CID 103397929

IUPACtert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCn1cc(NC2=NCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C14H23N5O2/c1-5-19-9-11(8-16-19)17-12-10-18(7-6-15-12)13(20)21-14(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,15,17)
InChIKeyCMDQPZOVFFDXPS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.96
Rot. Bonds2

About tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397929) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397929
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nametert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCn1cc(NC2=NCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C14H23N5O2/c1-5-19-9-11(8-16-19)17-12-10-18(7-6-15-12)13(20)21-14(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,15,17)
InChIKeyCMDQPZOVFFDXPS-UHFFFAOYSA-N
XLogP1.96
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 6-[(1-propan-2-ylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398132
tert-butyl 6-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 107463711
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
tert-butyl 6-(2,2-dimethylheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398267
tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398019
tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398022
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347
tert-butyl 6-(1,3-thiazol-5-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398410
tert-butyl 6-[(5-methylpyrazin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398128
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707
tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate
CID 174614220

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397929) is tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCn1cc(NC2=NCCN(C(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is CMDQPZOVFFDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-19-9-11(8-16-19)17-12-10-18(7-6-15-12)13(20)21-14(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).