2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

C17H16FN3OS — CID 71808114

IUPAC2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C17H16FN3OS/c18-14-5-3-13(4-6-14)12-17(22)19-8-10-21-9-7-15(20-21)16-2-1-11-23-16/h1-7,9,11H,8,10,12H2,(H,19,22)
InChIKeyIDGJGJOJCWMPIP-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 71808114) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID71808114
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C17H16FN3OS/c18-14-5-3-13(4-6-14)12-17(22)19-8-10-21-9-7-15(20-21)16-2-1-11-23-16/h1-7,9,11H,8,10,12H2,(H,19,22)
InChIKeyIDGJGJOJCWMPIP-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Afuresertib
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CID 3191222
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
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5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
5-(1-(2-(3,5-difluorophenylamino)-2-oxoethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 44418178
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 57826797

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (CID 71808114) is 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCn1ccc(-c2cccs2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is IDGJGJOJCWMPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-14-5-3-13(4-6-14)12-17(22)19-8-10-21-9-7-15(20-21)16-2-1-11-23-16/h1-7,9,11H,8,10,12H2,(H,19,22).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 71808114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).