N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide

C19H18FN3O3 — CID 24819168

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)o1
InChIInChI=1S/C19H18FN3O3/c1-25-18-10-9-17(26-18)19(24)22-14-6-4-8-15-12(14)11-21-23(15)16-7-3-2-5-13(16)20/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,24)
InChIKeySCFGCSYLZGYOOL-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.42
Rot. Bonds4

About N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide (PubChem CID 24819168) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
PubChem CID24819168
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)o1
InChIInChI=1S/C19H18FN3O3/c1-25-18-10-9-17(26-18)19(24)22-14-6-4-8-15-12(14)11-21-23(15)16-7-3-2-5-13(16)20/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,24)
InChIKeySCFGCSYLZGYOOL-UHFFFAOYSA-N
XLogP3.42
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide (CID 24819168) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide is COc1ccc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)o1.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The InChIKey is SCFGCSYLZGYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-25-18-10-9-17(26-18)19(24)22-14-6-4-8-15-12(14)11-21-23(15)16-7-3-2-5-13(16)20/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,24).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide is sourced from PubChem (CID 24819168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).