N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine

C18H20FN3OS — CID 46996306

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccsc1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c1-23-8-7-22(11-14-6-9-24-13-14)12-16-10-20-21-18(16)15-2-4-17(19)5-3-15/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,21)
InChIKeyZOAFZGJWQQPVRI-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.93
Rot. Bonds8

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 46996306) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID46996306
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccsc1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c1-23-8-7-22(11-14-6-9-24-13-14)12-16-10-20-21-18(16)15-2-4-17(19)5-3-15/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,21)
InChIKeyZOAFZGJWQQPVRI-UHFFFAOYSA-N
XLogP3.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
2-[{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(2-thienylmethyl)amino]ethanol
CID 16190655
2-[(4-methylsulfanylphenyl)methyl-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]amino]ethanol
CID 46994934
2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 45230966
2-[{[5-(1H-pyrazol-5-yl)-2-thienyl]methyl}(3-thienylmethyl)amino]butan-1-ol
CID 46993181
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46993774
(3S,4R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50953514
Sdccgsbi-0115213.P001
CID 28731916
2-phenyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 6625276
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 6625363
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 16673458
N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide
CID 16673869

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine (CID 46996306) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine is COCCN(Cc1ccsc1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is ZOAFZGJWQQPVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-23-8-7-22(11-14-6-9-24-13-14)12-16-10-20-21-18(16)15-2-4-17(19)5-3-15/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 345.44 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 46996306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).