5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide

C20H27FN4O2 — CID 142680605

IUPAC5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCCNC(=O)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C20H27FN4O2/c1-2-3-4-5-12-22-20(27)25-14-17(24-13-6-7-18(24)26)19(23-25)15-8-10-16(21)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,22,27)
InChIKeyPILSQDSUGHJUQC-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.13
Rot. Bonds7

About 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide

5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 142680605) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID142680605
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCCNC(=O)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C20H27FN4O2/c1-2-3-4-5-12-22-20(27)25-14-17(24-13-6-7-18(24)26)19(23-25)15-8-10-16(21)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,22,27)
InChIKeyPILSQDSUGHJUQC-UHFFFAOYSA-N
XLogP3.13
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-1-{2-[5-(2-fluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-oxoethyl}-1-methylurea
CID 45979372
1-{2-[3,5-Bis(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-oxoethyl}-3-ethyl-1-methylurea
CID 45980378
3-Ethyl-1-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-YL]-2-oxoethyl}-1-methylurea
CID 45980391
N-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-isopropyl-N-methylurea
CID 45980392
N-(3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 71784584
1-{2-[3,5-Bis(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-oxoethyl}-1-methyl-3-(propan-2-YL)urea
CID 83283445
2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 134803537
1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea
CID 20835624
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 71784636
N-[(S)-3-(m-fluorophenyl)-2-(2-oxo-1-imidazolidinyl)propyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxamide
CID 97039460
N-(2-(4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)butyramide
CID 121078525
N-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-3-methylbutanamide
CID 22402491

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide (CID 142680605) is 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide is CCCCCCNC(=O)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1.
What is the InChIKey of 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PILSQDSUGHJUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-2-3-4-5-12-22-20(27)25-14-17(24-13-6-7-18(24)26)19(23-25)15-8-10-16(21)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,22,27).
What are the key properties of 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-hexyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 142680605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).