tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate

C16H17N5O2 — CID 130355845

IUPACtert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate
SMILESC=Cc1cn2nccc2c(-c2cnn(C(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C16H17N5O2/c1-5-12-10-20-13(6-7-17-20)14(19-12)11-8-18-21(9-11)15(22)23-16(2,3)4/h5-10H,1H2,2-4H3
InChIKeyPSRYTRIYKBRLTH-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.02
Rot. Bonds2

About tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate

tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate (PubChem CID 130355845) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate
PubChem CID130355845
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Nametert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate
SMILESC=Cc1cn2nccc2c(-c2cnn(C(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C16H17N5O2/c1-5-12-10-20-13(6-7-17-20)14(19-12)11-8-18-21(9-11)15(22)23-16(2,3)4/h5-10H,1H2,2-4H3
InChIKeyPSRYTRIYKBRLTH-UHFFFAOYSA-N
XLogP3.02
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate (CID 130355845) is tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate is C=Cc1cn2nccc2c(-c2cnn(C(=O)OC(C)(C)C)c2)n1.
What is the InChIKey of tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate?
The InChIKey is PSRYTRIYKBRLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-5-12-10-20-13(6-7-17-20)14(19-12)11-8-18-21(9-11)15(22)23-16(2,3)4/h5-10H,1H2,2-4H3.
What are the key properties of tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate?
tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate has a molecular weight of 311.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate is sourced from PubChem (CID 130355845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).