2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide

C20H21FN4O3 — CID 42949836

IUPAC2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1ccc(OCCNC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)cc1
InChIInChI=1S/C20H21FN4O3/c1-13-2-8-16(9-3-13)28-11-10-23-20(27)17-12-18(19(22)26)25(24-17)15-6-4-14(21)5-7-15/h2-9,18H,10-12H2,1H3,(H2,22,26)(H,23,27)
InChIKeyHRPIUMRQUKFIDX-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.75
Rot. Bonds7

About 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide

2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 42949836) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID42949836
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1ccc(OCCNC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)cc1
InChIInChI=1S/C20H21FN4O3/c1-13-2-8-16(9-3-13)28-11-10-23-20(27)17-12-18(19(22)26)25(24-17)15-6-4-14(21)5-7-15/h2-9,18H,10-12H2,1H3,(H2,22,26)(H,23,27)
InChIKeyHRPIUMRQUKFIDX-UHFFFAOYSA-N
XLogP1.75
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 32935230
(3S)-2-(4-fluorophenyl)-5-N-(2-pyridin-2-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39898089
5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 134102072
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
5-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55750330
(2,4,6-trimethylphenyl) 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 55571947
5-N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55579429
2-(4-fluorophenyl)-5-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 43057090
ethyl 2-[[3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 55572614
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 37363132
5-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 56500355
2-(4-fluorophenyl)-5-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55560989

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide (CID 42949836) is 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide is Cc1ccc(OCCNC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is HRPIUMRQUKFIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-13-2-8-16(9-3-13)28-11-10-23-20(27)17-12-18(19(22)26)25(24-17)15-6-4-14(21)5-7-15/h2-9,18H,10-12H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 384.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 42949836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).