(5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C15H17F3N4OS — CID 97331958

IUPAC(5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCCc1csc(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1
InChIInChI=1S/C15H17F3N4OS/c1-2-3-9-7-24-14(19-9)20-13(23)8-4-5-11-10(6-8)12(22-21-11)15(16,17)18/h7-8H,2-6H2,1H3,(H,21,22)(H,19,20,23)/t8-/m1/s1
InChIKeyPFXMSIDEKFKUSV-MRVPVSSYSA-N
MW358.39 g/mol
LogP3.58
Rot. Bonds4

About (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

(5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 97331958) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID97331958
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name(5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCCc1csc(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1
InChIInChI=1S/C15H17F3N4OS/c1-2-3-9-7-24-14(19-9)20-13(23)8-4-5-11-10(6-8)12(22-21-11)15(16,17)18/h7-8H,2-6H2,1H3,(H,21,22)(H,19,20,23)/t8-/m1/s1
InChIKeyPFXMSIDEKFKUSV-MRVPVSSYSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 97331958) is (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CCCc1csc(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1.
What is the InChIKey of (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is PFXMSIDEKFKUSV-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-2-3-9-7-24-14(19-9)20-13(23)8-4-5-11-10(6-8)12(22-21-11)15(16,17)18/h7-8H,2-6H2,1H3,(H,21,22)(H,19,20,23)/t8-/m1/s1.
What are the key properties of (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 97331958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).