N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine

C21H18FN3S — CID 26690499

IUPACN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccsc2)cc1
InChIInChI=1S/C21H18FN3S/c22-19-8-6-17(7-9-19)21-18(13-23-12-16-10-11-26-15-16)14-25(24-21)20-4-2-1-3-5-20/h1-11,14-15,23H,12-13H2
InChIKeyCSXVAFNOYHXRHV-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.03
Rot. Bonds6

About N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine (PubChem CID 26690499) has the molecular formula C21H18FN3S and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
PubChem CID26690499
Molecular FormulaC21H18FN3S
Molecular Weight363.46 g/mol
Exact Mass363.12
IUPAC NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccsc2)cc1
InChIInChI=1S/C21H18FN3S/c22-19-8-6-17(7-9-19)21-18(13-23-12-16-10-11-26-15-16)14-25(24-21)20-4-2-1-3-5-20/h1-11,14-15,23H,12-13H2
InChIKeyCSXVAFNOYHXRHV-UHFFFAOYSA-N
XLogP5.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51923545
2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole
CID 7716290
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 126812768
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
CID 71906904
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
CID 112773639
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 71688046
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 26397328
N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
CID 1290486

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine (CID 26690499) is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine is Fc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccsc2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is CSXVAFNOYHXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3S/c22-19-8-6-17(7-9-19)21-18(13-23-12-16-10-11-26-15-16)14-25(24-21)20-4-2-1-3-5-20/h1-11,14-15,23H,12-13H2.
What are the key properties of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 363.46 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 26690499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).