N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C15H20FN3O — CID 75255281

IUPACN-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1NNC2CCCCC21
InChIInChI=1S/C15H20FN3O/c16-12-7-3-1-5-10(12)9-17-15(20)14-11-6-2-4-8-13(11)18-19-14/h1,3,5,7,11,13-14,18-19H,2,4,6,8-9H2,(H,17,20)
InChIKeyRPWPQZACAKCAMR-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.48
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 75255281) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID75255281
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1NNC2CCCCC21
InChIInChI=1S/C15H20FN3O/c16-12-7-3-1-5-10(12)9-17-15(20)14-11-6-2-4-8-13(11)18-19-14/h1,3,5,7,11,13-14,18-19H,2,4,6,8-9H2,(H,17,20)
InChIKeyRPWPQZACAKCAMR-UHFFFAOYSA-N
XLogP1.48
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 75255281) is N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(NCc1ccccc1F)C1NNC2CCCCC21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is RPWPQZACAKCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-12-7-3-1-5-10(12)9-17-15(20)14-11-6-2-4-8-13(11)18-19-14/h1,3,5,7,11,13-14,18-19H,2,4,6,8-9H2,(H,17,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 75255281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).