methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate

C18H25N5O2 — CID 167230981

IUPACmethyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2cc(C3CCCC3)nn2C(C)(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)23-16(9-13(22-23)12-7-5-6-8-12)21-15-11-19-10-14(20-15)17(24)25-4/h9-12H,5-8H2,1-4H3,(H,20,21)
InChIKeyPFJPYIAUZRICIM-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.62
Rot. Bonds4

About methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate

methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate (PubChem CID 167230981) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate
PubChem CID167230981
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Namemethyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2cc(C3CCCC3)nn2C(C)(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)23-16(9-13(22-23)12-7-5-6-8-12)21-15-11-19-10-14(20-15)17(24)25-4/h9-12H,5-8H2,1-4H3,(H,20,21)
InChIKeyPFJPYIAUZRICIM-UHFFFAOYSA-N
XLogP3.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate (CID 167230981) is methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2cc(C3CCCC3)nn2C(C)(C)C)n1.
What is the InChIKey of methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate?
The InChIKey is PFJPYIAUZRICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)23-16(9-13(22-23)12-7-5-6-8-12)21-15-11-19-10-14(20-15)17(24)25-4/h9-12H,5-8H2,1-4H3,(H,20,21).
What are the key properties of methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate?
methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-tert-butyl-3-cyclopentylpyrazol-5-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 167230981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).