N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

C19H23FN4O2 — CID 45209519

IUPACN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN4O2/c1-14-6-9-21-24(14)11-8-18(25)22-17-12-19(26)23(13-17)10-7-15-2-4-16(20)5-3-15/h2-6,9,17H,7-8,10-13H2,1H3,(H,22,25)
InChIKeyXCKYKSKXXSLUOH-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.68
Rot. Bonds7

About N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 45209519) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID45209519
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN4O2/c1-14-6-9-21-24(14)11-8-18(25)22-17-12-19(26)23(13-17)10-7-15-2-4-16(20)5-3-15/h2-6,9,17H,7-8,10-13H2,1H3,(H,22,25)
InChIKeyXCKYKSKXXSLUOH-UHFFFAOYSA-N
XLogP1.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
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-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (CID 45209519) is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is XCKYKSKXXSLUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-14-6-9-21-24(14)11-8-18(25)22-17-12-19(26)23(13-17)10-7-15-2-4-16(20)5-3-15/h2-6,9,17H,7-8,10-13H2,1H3,(H,22,25).
What are the key properties of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 358.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 45209519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).