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

C16H17F3N4O2 — CID 99637545

IUPAC(5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C16H17F3N4O2/c1-7-12(13(25-23-7)8-2-3-8)20-15(24)9-4-5-11-10(6-9)14(22-21-11)16(17,18)19/h8-9H,2-6H2,1H3,(H,20,24)(H,21,22)/t9-/m1/s1
InChIKeyWPABBFGSHISRRV-SECBINFHSA-N
MW354.33 g/mol
LogP3.35
Rot. Bonds3

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

(5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 99637545) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID99637545
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name(5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C16H17F3N4O2/c1-7-12(13(25-23-7)8-2-3-8)20-15(24)9-4-5-11-10(6-9)14(22-21-11)16(17,18)19/h8-9H,2-6H2,1H3,(H,20,24)(H,21,22)/t9-/m1/s1
InChIKeyWPABBFGSHISRRV-SECBINFHSA-N
XLogP3.35
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 99637545) is (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is Cc1noc(C2CC2)c1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is WPABBFGSHISRRV-SECBINFHSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-7-12(13(25-23-7)8-2-3-8)20-15(24)9-4-5-11-10(6-9)14(22-21-11)16(17,18)19/h8-9H,2-6H2,1H3,(H,20,24)(H,21,22)/t9-/m1/s1.
What are the key properties of (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 99637545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).