N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide

C19H16F3N3O — CID 23359467

IUPACN-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC2CCc3ccccc3C2=N1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)14-7-9-15(10-8-14)23-18(26)25-11-13-6-5-12-3-1-2-4-16(12)17(13)24-25/h1-4,7-10,13H,5-6,11H2,(H,23,26)
InChIKeySHYBTJIJSOCCKF-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.52
Rot. Bonds1

About N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide

N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide (PubChem CID 23359467) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
PubChem CID23359467
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC2CCc3ccccc3C2=N1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)14-7-9-15(10-8-14)23-18(26)25-11-13-6-5-12-3-1-2-4-16(12)17(13)24-25/h1-4,7-10,13H,5-6,11H2,(H,23,26)
InChIKeySHYBTJIJSOCCKF-UHFFFAOYSA-N
XLogP4.52
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide (CID 23359467) is N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CC2CCc3ccccc3C2=N1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide?
The InChIKey is SHYBTJIJSOCCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)14-7-9-15(10-8-14)23-18(26)25-11-13-6-5-12-3-1-2-4-16(12)17(13)24-25/h1-4,7-10,13H,5-6,11H2,(H,23,26).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide?
N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide is sourced from PubChem (CID 23359467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).