(5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C15H17F3N4O2 — CID 99617269

IUPAC(5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCc1noc(C)c1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C15H17F3N4O2/c1-3-10-12(7(2)24-22-10)19-14(23)8-4-5-11-9(6-8)13(21-20-11)15(16,17)18/h8H,3-6H2,1-2H3,(H,19,23)(H,20,21)/t8-/m0/s1
InChIKeyPGZKAFDDXSABON-QMMMGPOBSA-N
MW342.32 g/mol
LogP3.03
Rot. Bonds3

About (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

(5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 99617269) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID99617269
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name(5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCc1noc(C)c1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C15H17F3N4O2/c1-3-10-12(7(2)24-22-10)19-14(23)8-4-5-11-9(6-8)13(21-20-11)15(16,17)18/h8H,3-6H2,1-2H3,(H,19,23)(H,20,21)/t8-/m0/s1
InChIKeyPGZKAFDDXSABON-QMMMGPOBSA-N
XLogP3.03
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 99617269) is (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CCc1noc(C)c1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is PGZKAFDDXSABON-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-3-10-12(7(2)24-22-10)19-14(23)8-4-5-11-9(6-8)13(21-20-11)15(16,17)18/h8H,3-6H2,1-2H3,(H,19,23)(H,20,21)/t8-/m0/s1.
What are the key properties of (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 99617269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).