5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide

C15H12FN3O — CID 123518046

IUPAC5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1c(F)cccc1-c1ccc2[nH]nc(C(N)=O)c2c1
InChIInChI=1S/C15H12FN3O/c1-8-10(3-2-4-12(8)16)9-5-6-13-11(7-9)14(15(17)20)19-18-13/h2-7H,1H3,(H2,17,20)(H,18,19)
InChIKeyNUNSZDBAEGHGGQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.78
Rot. Bonds2

About 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide

5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide (PubChem CID 123518046) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
PubChem CID123518046
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1c(F)cccc1-c1ccc2[nH]nc(C(N)=O)c2c1
InChIInChI=1S/C15H12FN3O/c1-8-10(3-2-4-12(8)16)9-5-6-13-11(7-9)14(15(17)20)19-18-13/h2-7H,1H3,(H2,17,20)(H,18,19)
InChIKeyNUNSZDBAEGHGGQ-UHFFFAOYSA-N
XLogP2.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide (CID 123518046) is 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide is Cc1c(F)cccc1-c1ccc2[nH]nc(C(N)=O)c2c1.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is NUNSZDBAEGHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-8-10(3-2-4-12(8)16)9-5-6-13-11(7-9)14(15(17)20)19-18-13/h2-7H,1H3,(H2,17,20)(H,18,19).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide?
5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 123518046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).