N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide

C17H22N4O — CID 51104109

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESCN1CCCC1CNC(=O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C17H22N4O/c1-20-11-5-9-15(20)13-18-17(22)16(21-12-6-10-19-21)14-7-3-2-4-8-14/h2-4,6-8,10,12,15-16H,5,9,11,13H2,1H3,(H,18,22)
InChIKeyLMVNSBYFCOIXAQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.68
Rot. Bonds5

About N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide

N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide (PubChem CID 51104109) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide
PubChem CID51104109
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESCN1CCCC1CNC(=O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C17H22N4O/c1-20-11-5-9-15(20)13-18-17(22)16(21-12-6-10-19-21)14-7-3-2-4-8-14/h2-4,6-8,10,12,15-16H,5,9,11,13H2,1H3,(H,18,22)
InChIKeyLMVNSBYFCOIXAQ-UHFFFAOYSA-N
XLogP1.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide (CID 51104109) is N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide is CN1CCCC1CNC(=O)C(c1ccccc1)n1cccn1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The InChIKey is LMVNSBYFCOIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-11-5-9-15(20)13-18-17(22)16(21-12-6-10-19-21)14-7-3-2-4-8-14/h2-4,6-8,10,12,15-16H,5,9,11,13H2,1H3,(H,18,22).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide has a molecular weight of 298.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 51104109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).