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

C15H17F3N4OS — CID 97331959

IUPAC(5S)-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-/m0/s1
InChIKeyPFXMSIDEKFKUSV-QMMMGPOBSA-N
MW358.39 g/mol
LogP3.58
Rot. Bonds4

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

(5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 97331959) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is (5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID97331959
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name(5S)-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-/m0/s1
InChIKeyPFXMSIDEKFKUSV-QMMMGPOBSA-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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Related Compounds

N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 75438273
(5R)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 97331958
N-(5-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 132304720
N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 167958493
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 49670389
N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110674224
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131905374
N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 137973898

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 97331959) is (5S)-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 (5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5S)-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 (5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is PFXMSIDEKFKUSV-QMMMGPOBSA-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-/m0/s1.
What are the key properties of (5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5S)-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 (5S)-N-(4-propyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 97331959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).