1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

C16H12N6O — CID 135403031

IUPAC1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESN#Cc1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H12N6O/c17-7-9-1-3-10(4-2-9)22-15-11(14(21-22)16(18)23)5-6-13-12(15)8-19-20-13/h1-4,8H,5-6H2,(H2,18,23)(H,19,20)
InChIKeyRKCBSCHBRMVAOI-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.33
Rot. Bonds2

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

1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403031) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403031
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESN#Cc1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H12N6O/c17-7-9-1-3-10(4-2-9)22-15-11(14(21-22)16(18)23)5-6-13-12(15)8-19-20-13/h1-4,8H,5-6H2,(H2,18,23)(H,19,20)
InChIKeyRKCBSCHBRMVAOI-UHFFFAOYSA-N
XLogP1.33
TPSA113.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gne-9822
CID 74983355
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
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Tetrahydro-benzodipyrazole deriv. 7a
CID 135403018
N-[1-[(1R)-2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645541
N-[1-[(1S)-3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645544
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethyl-3-pyrazolecarboxamide
CID 24792000
N-(1-(3-((dimethylamino)methyl)benzyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259557
N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259563
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 71259597
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 71259783
N-(1-benzylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259797
N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267246

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403031) is 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is N#Cc1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is RKCBSCHBRMVAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c17-7-9-1-3-10(4-2-9)22-15-11(14(21-22)16(18)23)5-6-13-12(15)8-19-20-13/h1-4,8H,5-6H2,(H2,18,23)(H,19,20).
What are the key properties of 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).