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

C15H14FN3S — CID 43773038

IUPAC1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESFc1cccc(CNCc2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C15H14FN3S/c16-13-4-1-3-11(7-13)8-17-9-12-10-18-19-15(12)14-5-2-6-20-14/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyMWAVKMUIXYETMC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.57
Rot. Bonds5

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

1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 43773038) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID43773038
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESFc1cccc(CNCc2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C15H14FN3S/c16-13-4-1-3-11(7-13)8-17-9-12-10-18-19-15(12)14-5-2-6-20-14/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyMWAVKMUIXYETMC-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
3-(2,5-dimethyl-3-thienyl)-1H-pyrazole
CID 3818016
4,5-dihydro-1H-thieno[2,3-g]indazole
CID 13452859
Cyto6G4
CID 2822152
Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 44316823
(4,5,6,7-Tetrahydro-2H-indazol-5-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 14539722
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 46996306
4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
CID 176376104
2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
CID 6623236
1-[(3-Fluorophenyl)methyl]-4-phenyl-3-thiophen-2-ylpyrazole
CID 177651802
Sdccgsbi-0115213.P001
CID 28731916
(E)-N-(1,2-diphenylethyl)-3-(5-thiophen-2-yl-1H-pyrazol-4-yl)prop-2-enamide
CID 19973545

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (CID 43773038) is 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is Fc1cccc(CNCc2cn[nH]c2-c2cccs2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is MWAVKMUIXYETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c16-13-4-1-3-11(7-13)8-17-9-12-10-18-19-15(12)14-5-2-6-20-14/h1-7,10,17H,8-9H2,(H,18,19).
What are the key properties of 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 43773038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).