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

C15H12FN5O — CID 135403028

IUPAC1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C15H12FN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-4,7H,5-6H2,(H2,17,22)(H,18,19)
InChIKeyKRQOODWTFDTOCD-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.60
Rot. Bonds2

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

1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403028) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403028
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C15H12FN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-4,7H,5-6H2,(H2,17,22)(H,18,19)
InChIKeyKRQOODWTFDTOCD-UHFFFAOYSA-N
XLogP1.60
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Gne-9822
CID 74983355
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Tetrahydro-benzodipyrazole deriv. 7a
CID 135403018
N-(1-benzylpyrazol-4-yl)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
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CID 73294162
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
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CID 9594599
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethyl-3-pyrazolecarboxamide
CID 24792000
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403028) is 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1[nH]ncc1-2.
What is the InChIKey of 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is KRQOODWTFDTOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-4,7H,5-6H2,(H2,17,22)(H,18,19).
What are the key properties of 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).