9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene

C19H16F3N5 — CID 150961382

IUPAC9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene
SMILESFC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCCC2
InChIInChI=1S/C19H16F3N5/c20-19(21,22)18-13(9-24-27-18)17-11-5-3-1-2-4-10(11)16-12-8-23-26-14(12)6-7-15(16)25-17/h6-9H,1-5H2,(H,23,26)(H,24,27)
InChIKeyLMEANLPGOCWAMD-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.79
Rot. Bonds1

About 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene

9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene (PubChem CID 150961382) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene.

Molecular Properties

Compound Name9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene
PubChem CID150961382
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene
SMILESFC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCCC2
InChIInChI=1S/C19H16F3N5/c20-19(21,22)18-13(9-24-27-18)17-11-5-3-1-2-4-10(11)16-12-8-23-26-14(12)6-7-15(16)25-17/h6-9H,1-5H2,(H,23,26)(H,24,27)
InChIKeyLMEANLPGOCWAMD-UHFFFAOYSA-N
XLogP4.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene 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 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene?
The IUPAC name of 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene (CID 150961382) is 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene.
What is the SMILES notation for 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene?
The canonical SMILES for 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene is FC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCCC2.
What is the InChIKey of 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene?
The InChIKey is LMEANLPGOCWAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c20-19(21,22)18-13(9-24-27-18)17-11-5-3-1-2-4-10(11)16-12-8-23-26-14(12)6-7-15(16)25-17/h6-9H,1-5H2,(H,23,26)(H,24,27).
What are the key properties of 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene?
9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene has a molecular weight of 371.37 g/mol, XLogP of 4.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14(18),16-hexaene is sourced from PubChem (CID 150961382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).