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

C18H21FN4O2 — CID 45174638

IUPACN-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O2/c1-13-6-8-20-23(13)9-7-17(24)21-16-10-18(25)22(12-16)11-14-2-4-15(19)5-3-14/h2-6,8,16H,7,9-12H2,1H3,(H,21,24)
InChIKeyCSAMUPXHUJPKKI-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.64
Rot. Bonds6

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

N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 45174638) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID45174638
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O2/c1-13-6-8-20-23(13)9-7-17(24)21-16-10-18(25)22(12-16)11-14-2-4-15(19)5-3-14/h2-6,8,16H,7,9-12H2,1H3,(H,21,24)
InChIKeyCSAMUPXHUJPKKI-UHFFFAOYSA-N
XLogP1.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(1H-pyrazol-1-ylmethyl)-1,4-diazepan-2-one
CID 23646452
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723494
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 844489
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 4577554
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (CID 45174638) is N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)NC1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is CSAMUPXHUJPKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-6-8-20-23(13)9-7-17(24)21-16-10-18(25)22(12-16)11-14-2-4-15(19)5-3-14/h2-6,8,16H,7,9-12H2,1H3,(H,21,24).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 344.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 45174638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).