1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide

C16H10F3N5O — CID 5331034

IUPAC1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]n(-c2ccc(C(F)(F)F)cc2)c2c1ccc1nncc12
InChIInChI=1S/C16H10F3N5O/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/h1-7,23H,(H2,20,25)
InChIKeyOKKUFJLNSISMMJ-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.02
Rot. Bonds2

About 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide

1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331034) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331034
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]n(-c2ccc(C(F)(F)F)cc2)c2c1ccc1nncc12
InChIInChI=1S/C16H10F3N5O/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/h1-7,23H,(H2,20,25)
InChIKeyOKKUFJLNSISMMJ-UHFFFAOYSA-N
XLogP3.02
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide (CID 5331034) is 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide is NC(=O)c1[nH]n(-c2ccc(C(F)(F)F)cc2)c2c1ccc1nncc12.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is OKKUFJLNSISMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/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/h1-7,23H,(H2,20,25).
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
1-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 345.28 g/mol, XLogP of 3.02, 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]-2H-pyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).