1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

C15H13N5O — CID 135403024

IUPAC1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C15H13N5O/c16-15(21)13-10-6-7-12-11(8-17-18-12)14(10)20(19-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,16,21)(H,17,18)
InChIKeyAONVCSVCAYXLEL-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.46
Rot. Bonds2

About 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403024) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403024
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C15H13N5O/c16-15(21)13-10-6-7-12-11(8-17-18-12)14(10)20(19-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,16,21)(H,17,18)
InChIKeyAONVCSVCAYXLEL-UHFFFAOYSA-N
XLogP1.46
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403024) is 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is NC(=O)c1nn(-c2ccccc2)c2c1CCc1[nH]ncc1-2.
What is the InChIKey of 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is AONVCSVCAYXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-15(21)13-10-6-7-12-11(8-17-18-12)14(10)20(19-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,16,21)(H,17,18).
What are the key properties of 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).