N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

C17H13ClFN3OS — CID 155948751

IUPACN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCc2sc(Cl)cc21)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C17H13ClFN3OS/c18-15-7-10-13(5-6-14(10)24-15)21-17(23)11-8-20-22-16(11)9-3-1-2-4-12(9)19/h1-4,7-8,13H,5-6H2,(H,20,22)(H,21,23)
InChIKeyBQKXPTREJSRERQ-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.35
Rot. Bonds3

About N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 155948751) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID155948751
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC NameN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCc2sc(Cl)cc21)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C17H13ClFN3OS/c18-15-7-10-13(5-6-14(10)24-15)21-17(23)11-8-20-22-16(11)9-3-1-2-4-12(9)19/h1-4,7-8,13H,5-6H2,(H,20,22)(H,21,23)
InChIKeyBQKXPTREJSRERQ-UHFFFAOYSA-N
XLogP4.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 155948751) is N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is O=C(NC1CCc2sc(Cl)cc21)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BQKXPTREJSRERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c18-15-7-10-13(5-6-14(10)24-15)21-17(23)11-8-20-22-16(11)9-3-1-2-4-12(9)19/h1-4,7-8,13H,5-6H2,(H,20,22)(H,21,23).
What are the key properties of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155948751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).