2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide

C9H9N5O — CID 5331021

IUPAC2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]nc2c1CCc1[nH]ncc1-2
InChIInChI=1S/C9H9N5O/c10-9(15)8-4-1-2-6-5(3-11-12-6)7(4)13-14-8/h3H,1-2H2,(H2,10,15)(H,11,12)(H,13,14)
InChIKeyJIJKUJLHCJAURU-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.00
Rot. Bonds1

About 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide

2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331021) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331021
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]nc2c1CCc1[nH]ncc1-2
InChIInChI=1S/C9H9N5O/c10-9(15)8-4-1-2-6-5(3-11-12-6)7(4)13-14-8/h3H,1-2H2,(H2,10,15)(H,11,12)(H,13,14)
InChIKeyJIJKUJLHCJAURU-UHFFFAOYSA-N
XLogP-0.00
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide (CID 5331021) is 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide is NC(=O)c1[nH]nc2c1CCc1[nH]ncc1-2.
What is the InChIKey of 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is JIJKUJLHCJAURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-9(15)8-4-1-2-6-5(3-11-12-6)7(4)13-14-8/h3H,1-2H2,(H2,10,15)(H,11,12)(H,13,14).
What are the key properties of 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide?
2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 203.21 g/mol, XLogP of -0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).