N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide

C16H14FN3O — CID 60715179

IUPACN-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2cn[nH]c2c1)c1cccc(F)c1
InChIInChI=1S/C16H14FN3O/c1-10(11-3-2-4-14(17)7-11)19-16(21)12-5-6-13-9-18-20-15(13)8-12/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeySBXYMOGINNFJFL-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.19
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide

N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide (PubChem CID 60715179) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
PubChem CID60715179
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2cn[nH]c2c1)c1cccc(F)c1
InChIInChI=1S/C16H14FN3O/c1-10(11-3-2-4-14(17)7-11)19-16(21)12-5-6-13-9-18-20-15(13)8-12/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeySBXYMOGINNFJFL-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715178
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
N-(3-propan-2-ylphenyl)-1H-indazole-6-carboxamide
CID 60715255
[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
CID 33059231
N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56809827
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide (CID 60715179) is N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide is CC(NC(=O)c1ccc2cn[nH]c2c1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide?
The InChIKey is SBXYMOGINNFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10(11-3-2-4-14(17)7-11)19-16(21)12-5-6-13-9-18-20-15(13)8-12/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide?
N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 60715179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).