N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C17H17F2N3O3 — CID 166241436

IUPACN-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)C1CCCc2cn[nH]c21
InChIInChI=1S/C17H17F2N3O3/c1-22(16(23)12-4-2-3-11-8-20-21-15(11)12)9-10-5-6-13-14(7-10)25-17(18,19)24-13/h5-8,12H,2-4,9H2,1H3,(H,20,21)
InChIKeyDFGHTVRXEYZPOD-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.81
Rot. Bonds3

About N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 166241436) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID166241436
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC NameN-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)C1CCCc2cn[nH]c21
InChIInChI=1S/C17H17F2N3O3/c1-22(16(23)12-4-2-3-11-8-20-21-15(11)12)9-10-5-6-13-14(7-10)25-17(18,19)24-13/h5-8,12H,2-4,9H2,1H3,(H,20,21)
InChIKeyDFGHTVRXEYZPOD-UHFFFAOYSA-N
XLogP2.81
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 166241436) is N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)C1CCCc2cn[nH]c21.
What is the InChIKey of N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is DFGHTVRXEYZPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-22(16(23)12-4-2-3-11-8-20-21-15(11)12)9-10-5-6-13-14(7-10)25-17(18,19)24-13/h5-8,12H,2-4,9H2,1H3,(H,20,21).
What are the key properties of N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 166241436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).