N-(3-fluorophenyl)-3-methylindazole-1-carboxamide

C15H12FN3O — CID 53006451

IUPACN-(3-fluorophenyl)-3-methylindazole-1-carboxamide
SMILESCc1nn(C(=O)Nc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C15H12FN3O/c1-10-13-7-2-3-8-14(13)19(18-10)15(20)17-12-6-4-5-11(16)9-12/h2-9H,1H3,(H,17,20)
InChIKeyBOCHXANUJSCWGO-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.56
Rot. Bonds1

About N-(3-fluorophenyl)-3-methylindazole-1-carboxamide

N-(3-fluorophenyl)-3-methylindazole-1-carboxamide (PubChem CID 53006451) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methylindazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methylindazole-1-carboxamide
PubChem CID53006451
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(3-fluorophenyl)-3-methylindazole-1-carboxamide
SMILESCc1nn(C(=O)Nc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C15H12FN3O/c1-10-13-7-2-3-8-14(13)19(18-10)15(20)17-12-6-4-5-11(16)9-12/h2-9H,1H3,(H,17,20)
InChIKeyBOCHXANUJSCWGO-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methylindazole-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-methylindazole-1-carboxamide (CID 53006451) is N-(3-fluorophenyl)-3-methylindazole-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methylindazole-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methylindazole-1-carboxamide is Cc1nn(C(=O)Nc2cccc(F)c2)c2ccccc12.
What is the InChIKey of N-(3-fluorophenyl)-3-methylindazole-1-carboxamide?
The InChIKey is BOCHXANUJSCWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-10-13-7-2-3-8-14(13)19(18-10)15(20)17-12-6-4-5-11(16)9-12/h2-9H,1H3,(H,17,20).
What are the key properties of N-(3-fluorophenyl)-3-methylindazole-1-carboxamide?
N-(3-fluorophenyl)-3-methylindazole-1-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methylindazole-1-carboxamide is sourced from PubChem (CID 53006451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).