5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C18H23N5O2 — CID 118069218

IUPAC5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3ccccc3)c(C(N)=O)c2C1
InChIInChI=1S/C18H23N5O2/c1-18(2,3)20-17(25)22-9-10-23-13(11-22)14(16(19)24)15(21-23)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,19,24)(H,20,25)
InChIKeyOMLGJSRLUQDREJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.97
Rot. Bonds2

About 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069218) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069218
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3ccccc3)c(C(N)=O)c2C1
InChIInChI=1S/C18H23N5O2/c1-18(2,3)20-17(25)22-9-10-23-13(11-22)14(16(19)24)15(21-23)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,19,24)(H,20,25)
InChIKeyOMLGJSRLUQDREJ-UHFFFAOYSA-N
XLogP1.97
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069218) is 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)NC(=O)N1CCn2nc(-c3ccccc3)c(C(N)=O)c2C1.
What is the InChIKey of 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is OMLGJSRLUQDREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-18(2,3)20-17(25)22-9-10-23-13(11-22)14(16(19)24)15(21-23)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,19,24)(H,20,25).
What are the key properties of 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).