N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide

C16H14FN3O — CID 39975072

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C16H14FN3O/c1-20(10-12-5-2-3-8-14(12)17)16(21)13-7-4-6-11-9-18-19-15(11)13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVACQCZUNCKKMAP-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide

N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide (PubChem CID 39975072) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide
PubChem CID39975072
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C16H14FN3O/c1-20(10-12-5-2-3-8-14(12)17)16(21)13-7-4-6-11-9-18-19-15(11)13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVACQCZUNCKKMAP-UHFFFAOYSA-N
XLogP2.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide (CID 39975072) is N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide is CN(Cc1ccccc1F)C(=O)c1cccc2cn[nH]c12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide?
The InChIKey is VACQCZUNCKKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(10-12-5-2-3-8-14(12)17)16(21)13-7-4-6-11-9-18-19-15(11)13/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 39975072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).