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

C16H12F3N5O2 — CID 135403030

IUPAC1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)26-9-3-1-8(2-4-9)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)
InChIKeyLUMYIBLGYSVYOS-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.36
Rot. Bonds3

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

1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403030) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403030
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)26-9-3-1-8(2-4-9)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)
InChIKeyLUMYIBLGYSVYOS-UHFFFAOYSA-N
XLogP2.36
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403030) is 1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1CCc1[nH]ncc1-2.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is LUMYIBLGYSVYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)26-9-3-1-8(2-4-9)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-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).