8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene

C17H12F3N5O — CID 142445564

IUPAC8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene
SMILESFC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)16-10(6-22-25-16)15-11-7-26-4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)
InChIKeyRAXSAOMTCOKDBJ-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.59
Rot. Bonds1

About 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene

8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene (PubChem CID 142445564) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene.

Molecular Properties

Compound Name8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene
PubChem CID142445564
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene
SMILESFC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)16-10(6-22-25-16)15-11-7-26-4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)
InChIKeyRAXSAOMTCOKDBJ-UHFFFAOYSA-N
XLogP3.59
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene?
The IUPAC name of 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene (CID 142445564) is 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene.
What is the SMILES notation for 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene?
The canonical SMILES for 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene is FC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2.
What is the InChIKey of 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene?
The InChIKey is RAXSAOMTCOKDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)16-10(6-22-25-16)15-11-7-26-4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25).
What are the key properties of 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene?
8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene has a molecular weight of 359.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene is sourced from PubChem (CID 142445564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).