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

C18H24N6O2 — CID 118062576

IUPAC2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3cccc(N)c3)c(C(N)=O)c2C1
InChIInChI=1S/C18H24N6O2/c1-18(2,3)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10,19H2,1-3H3,(H2,20,25)(H,21,26)
InChIKeyYSADBICQNPLKMH-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.55
Rot. Bonds2

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

2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062576) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062576
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3cccc(N)c3)c(C(N)=O)c2C1
InChIInChI=1S/C18H24N6O2/c1-18(2,3)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10,19H2,1-3H3,(H2,20,25)(H,21,26)
InChIKeyYSADBICQNPLKMH-UHFFFAOYSA-N
XLogP1.55
TPSA119.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062576) is 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)NC(=O)N1CCn2nc(-c3cccc(N)c3)c(C(N)=O)c2C1.
What is the InChIKey of 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is YSADBICQNPLKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-18(2,3)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10,19H2,1-3H3,(H2,20,25)(H,21,26).
What are the key properties of 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-5-N-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).