N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide

C16H17FN4O2 — CID 42240654

IUPACN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H17FN4O2/c17-13-4-1-3-12(7-13)9-20-10-14(8-16(20)23)19-15(22)11-21-6-2-5-18-21/h1-7,14H,8-11H2,(H,19,22)/t14-/m0/s1
InChIKeyHVZHRMIEQWVCFO-AWEZNQCLSA-N
MW316.34 g/mol
LogP0.94
Rot. Bonds5

About N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide

N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide (PubChem CID 42240654) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
PubChem CID42240654
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H17FN4O2/c17-13-4-1-3-12(7-13)9-20-10-14(8-16(20)23)19-15(22)11-21-6-2-5-18-21/h1-7,14H,8-11H2,(H,19,22)/t14-/m0/s1
InChIKeyHVZHRMIEQWVCFO-AWEZNQCLSA-N
XLogP0.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 95726169
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
2-[cyclopentyl(methyl)amino]-N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712178
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
2-[cyclopentyl(methyl)amino]-N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712179
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide (CID 42240654) is N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is HVZHRMIEQWVCFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-13-4-1-3-12(7-13)9-20-10-14(8-16(20)23)19-15(22)11-21-6-2-5-18-21/h1-7,14H,8-11H2,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide?
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 316.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 42240654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).