2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol

C17H18FN3OS — CID 154834574

IUPAC2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)(CNCc1cn[nH]c1-c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3OS/c1-17(22,13-4-6-14(18)7-5-13)11-19-9-12-10-20-21-16(12)15-3-2-8-23-15/h2-8,10,19,22H,9,11H2,1H3,(H,20,21)
InChIKeyDHINGSFIPUTILM-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.27
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol

2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 154834574) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol
PubChem CID154834574
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)(CNCc1cn[nH]c1-c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3OS/c1-17(22,13-4-6-14(18)7-5-13)11-19-9-12-10-20-21-16(12)15-3-2-8-23-15/h2-8,10,19,22H,9,11H2,1H3,(H,20,21)
InChIKeyDHINGSFIPUTILM-UHFFFAOYSA-N
XLogP3.27
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

2-(2,5-dimethylfuran-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 111467727
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CID 47185945
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233210
4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43764924
N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
CID 86776335
(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 38066242
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069
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CID 114954740
2,6-dichloro-4-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 83078504
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43233175
3,4,5-trifluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 62809140
N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol (CID 154834574) is 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol is CC(O)(CNCc1cn[nH]c1-c1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is DHINGSFIPUTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-17(22,13-4-6-14(18)7-5-13)11-19-9-12-10-20-21-16(12)15-3-2-8-23-15/h2-8,10,19,22H,9,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 331.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 154834574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).