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

C16H12F3N5O — CID 135403029

IUPAC1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)8-1-3-9(4-2-8)24-14-10(13(23-24)15(20)25)5-6-12-11(14)7-21-22-12/h1-4,7H,5-6H2,(H2,20,25)(H,21,22)
InChIKeyMHDFKOBMOQJFBJ-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.48
Rot. Bonds2

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

1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403029) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403029
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)8-1-3-9(4-2-8)24-14-10(13(23-24)15(20)25)5-6-12-11(14)7-21-22-12/h1-4,7H,5-6H2,(H2,20,25)(H,21,22)
InChIKeyMHDFKOBMOQJFBJ-UHFFFAOYSA-N
XLogP2.48
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
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N-(1-benzylpyrazol-4-yl)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
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N-[1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
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
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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-benzylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259797
N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267246
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403029) is 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCc1[nH]ncc1-2.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is MHDFKOBMOQJFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)8-1-3-9(4-2-8)24-14-10(13(23-24)15(20)25)5-6-12-11(14)7-21-22-12/h1-4,7H,5-6H2,(H2,20,25)(H,21,22).
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).