N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide

C23H24FN3O2 — CID 16675495

IUPACN-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H24FN3O2/c1-29-19-12-5-16(6-13-19)7-14-23(28)26-21-3-2-4-22-20(21)15-25-27(22)18-10-8-17(24)9-11-18/h5-6,8-13,15,21H,2-4,7,14H2,1H3,(H,26,28)
InChIKeyDHCDELWCKAGGOC-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.15
Rot. Bonds6

About N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide

N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 16675495) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID16675495
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H24FN3O2/c1-29-19-12-5-16(6-13-19)7-14-23(28)26-21-3-2-4-22-20(21)15-25-27(22)18-10-8-17(24)9-11-18/h5-6,8-13,15,21H,2-4,7,14H2,1H3,(H,26,28)
InChIKeyDHCDELWCKAGGOC-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide (CID 16675495) is N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCCc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is DHCDELWCKAGGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-29-19-12-5-16(6-13-19)7-14-23(28)26-21-3-2-4-22-20(21)15-25-27(22)18-10-8-17(24)9-11-18/h5-6,8-13,15,21H,2-4,7,14H2,1H3,(H,26,28).
What are the key properties of N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide?
N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 393.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 16675495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).