2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

C12H17N3O — CID 164636546

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C12H17N3O/c1-9-11(8-14-15-9)7-13-12(16)6-10-4-2-3-5-10/h2,4,8,10H,3,5-7H2,1H3,(H,13,16)(H,14,15)/t10-/m1/s1
InChIKeyMJAPIZDEABKYBR-SNVBAGLBSA-N
MW219.29 g/mol
LogP1.69
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 164636546) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID164636546
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C12H17N3O/c1-9-11(8-14-15-9)7-13-12(16)6-10-4-2-3-5-10/h2,4,8,10H,3,5-7H2,1H3,(H,13,16)(H,14,15)/t10-/m1/s1
InChIKeyMJAPIZDEABKYBR-SNVBAGLBSA-N
XLogP1.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 164636546) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1[nH]ncc1CNC(=O)C[C@@H]1C=CCC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is MJAPIZDEABKYBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-11(8-14-15-9)7-13-12(16)6-10-4-2-3-5-10/h2,4,8,10H,3,5-7H2,1H3,(H,13,16)(H,14,15)/t10-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 219.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 164636546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).