2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide

C16H17FN4O — CID 166301952

IUPAC2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide
SMILESN[C@@H]1C=C[C@H](CC(=O)Nc2cn[nH]c2-c2ccccc2F)C1
InChIInChI=1S/C16H17FN4O/c17-13-4-2-1-3-12(13)16-14(9-19-21-16)20-15(22)8-10-5-6-11(18)7-10/h1-6,9-11H,7-8,18H2,(H,19,21)(H,20,22)/t10-,11+/m0/s1
InChIKeyWEMNKSDQPUZXLF-WDEREUQCSA-N
MW300.34 g/mol
LogP2.45
Rot. Bonds4

About 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide

2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 166301952) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide
PubChem CID166301952
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide
SMILESN[C@@H]1C=C[C@H](CC(=O)Nc2cn[nH]c2-c2ccccc2F)C1
InChIInChI=1S/C16H17FN4O/c17-13-4-2-1-3-12(13)16-14(9-19-21-16)20-15(22)8-10-5-6-11(18)7-10/h1-6,9-11H,7-8,18H2,(H,19,21)(H,20,22)/t10-,11+/m0/s1
InChIKeyWEMNKSDQPUZXLF-WDEREUQCSA-N
XLogP2.45
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide (CID 166301952) is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide is N[C@@H]1C=C[C@H](CC(=O)Nc2cn[nH]c2-c2ccccc2F)C1.
What is the InChIKey of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is WEMNKSDQPUZXLF-WDEREUQCSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-4-2-1-3-12(13)16-14(9-19-21-16)20-15(22)8-10-5-6-11(18)7-10/h1-6,9-11H,7-8,18H2,(H,19,21)(H,20,22)/t10-,11+/m0/s1.
What are the key properties of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 166301952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).