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

C19H18FN3OS — CID 16675493

IUPACN-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-13-6-8-14(9-7-13)23-18-5-1-4-17(16(18)12-21-23)22-19(24)11-15-3-2-10-25-15/h2-3,6-10,12,17H,1,4-5,11H2,(H,22,24)
InChIKeyCOTRYTIJQRUSKL-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.81
Rot. Bonds4

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

N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 16675493) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID16675493
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-13-6-8-14(9-7-13)23-18-5-1-4-17(16(18)12-21-23)22-19(24)11-15-3-2-10-25-15/h2-3,6-10,12,17H,1,4-5,11H2,(H,22,24)
InChIKeyCOTRYTIJQRUSKL-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.81
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]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide (CID 16675493) is N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is COTRYTIJQRUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-13-6-8-14(9-7-13)23-18-5-1-4-17(16(18)12-21-23)22-19(24)11-15-3-2-10-25-15/h2-3,6-10,12,17H,1,4-5,11H2,(H,22,24).
What are the key properties of N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide?
N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 355.44 g/mol, XLogP of 3.81, 4 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]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16675493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).