N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C14H20F3N3O2 — CID 109478727

IUPACN-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCC(CCO)NC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C14H20F3N3O2/c1-2-9(5-6-21)18-13(22)8-3-4-11-10(7-8)12(20-19-11)14(15,16)17/h8-9,21H,2-7H2,1H3,(H,18,22)(H,19,20)
InChIKeyDGYLDAXYGKIWIJ-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.81
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 109478727) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID109478727
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC NameN-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCC(CCO)NC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C14H20F3N3O2/c1-2-9(5-6-21)18-13(22)8-3-4-11-10(7-8)12(20-19-11)14(15,16)17/h8-9,21H,2-7H2,1H3,(H,18,22)(H,19,20)
InChIKeyDGYLDAXYGKIWIJ-UHFFFAOYSA-N
XLogP1.81
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 109478727) is N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CCC(CCO)NC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is DGYLDAXYGKIWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-2-9(5-6-21)18-13(22)8-3-4-11-10(7-8)12(20-19-11)14(15,16)17/h8-9,21H,2-7H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 109478727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).