3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C15H14F3N3O — CID 118738012

IUPAC3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c21
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)9-6-4-8(5-7-9)12-10-2-1-3-11(14(19)22)13(10)21-20-12/h4-7,11H,1-3H2,(H2,19,22)(H,20,21)
InChIKeySHSQVZOUPRQLFE-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.00
Rot. Bonds2

About 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738012) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738012
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c21
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)9-6-4-8(5-7-9)12-10-2-1-3-11(14(19)22)13(10)21-20-12/h4-7,11H,1-3H2,(H2,19,22)(H,20,21)
InChIKeySHSQVZOUPRQLFE-UHFFFAOYSA-N
XLogP3.00
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738000
6-(4-fluorophenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 6472978
3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738006
3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738008
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738010
3-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 4080514
4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide
CID 155410660
3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118737999
3-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738002
3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738003
3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738005
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738009

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738012) is 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is NC(=O)C1CCCc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c21.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is SHSQVZOUPRQLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)9-6-4-8(5-7-9)12-10-2-1-3-11(14(19)22)13(10)21-20-12/h4-7,11H,1-3H2,(H2,19,22)(H,20,21).
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).