N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C19H20FN3S — CID 56797290

IUPACN-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1ccc(-c2cccs2)cc1F
InChIInChI=1S/C19H20FN3S/c1-23-18-5-2-4-17(15(18)12-22-23)21-11-14-8-7-13(10-16(14)20)19-6-3-9-24-19/h3,6-10,12,17,21H,2,4-5,11H2,1H3
InChIKeyGZRRWSNWJRHLDS-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.45
Rot. Bonds4

About N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 56797290) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID56797290
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC NameN-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1ccc(-c2cccs2)cc1F
InChIInChI=1S/C19H20FN3S/c1-23-18-5-2-4-17(15(18)12-22-23)21-11-14-8-7-13(10-16(14)20)19-6-3-9-24-19/h3,6-10,12,17,21H,2,4-5,11H2,1H3
InChIKeyGZRRWSNWJRHLDS-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 56797290) is N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCc1ccc(-c2cccs2)cc1F.
What is the InChIKey of N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is GZRRWSNWJRHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3S/c1-23-18-5-2-4-17(15(18)12-22-23)21-11-14-8-7-13(10-16(14)20)19-6-3-9-24-19/h3,6-10,12,17,21H,2,4-5,11H2,1H3.
What are the key properties of N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 341.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 56797290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).