N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide

C15H11F2N3O — CID 22510443

IUPACN-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide
SMILESCc1cccc2c1cnn2C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H11F2N3O/c1-9-3-2-4-14-11(9)8-18-20(14)15(21)19-13-7-10(16)5-6-12(13)17/h2-8H,1H3,(H,19,21)
InChIKeyPJHREIDFLHBCGR-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.70
Rot. Bonds1

About N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide

N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide (PubChem CID 22510443) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide
PubChem CID22510443
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide
SMILESCc1cccc2c1cnn2C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H11F2N3O/c1-9-3-2-4-14-11(9)8-18-20(14)15(21)19-13-7-10(16)5-6-12(13)17/h2-8H,1H3,(H,19,21)
InChIKeyPJHREIDFLHBCGR-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Abt-116
CID 46890602
1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793
N-(2-bromophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510437
N-(4-bromo-2-fluorophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510442
N-(2-chlorophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510451
1-(2,6-difluorobenzyl)-3-(1H-indazol-5-yl)urea
CID 9900997
N-[4-(1H-indazol-4-yl)-phenyl]-N''-(3-methylphenyl)urea
CID 16125042
N-[4-(1-methyl-1H-indazol-4-yl)-phenyl]-N''-(3-methylphenyl)urea
CID 16125514
N-(3-fluoro-4-methylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510428
1-(2-(3,3-dimethylbutyl)-4-(trifluoromethyl)benzyl)-3-(1-ethyl-1H-indazol-4-yl)urea
CID 46890636
1-(2-(3,3-dimethylbutyl)-4-(trifluoromethyl)benzyl)-3-(1-isopropyl-1H-indazol-4-yl)urea
CID 46890637

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide (CID 22510443) is N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide is Cc1cccc2c1cnn2C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide?
The InChIKey is PJHREIDFLHBCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-9-3-2-4-14-11(9)8-18-20(14)15(21)19-13-7-10(16)5-6-12(13)17/h2-8H,1H3,(H,19,21).
What are the key properties of N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide?
N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-methylindazole-1-carboxamide is sourced from PubChem (CID 22510443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).