3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid

C18H17FN2O3 — CID 82072756

IUPAC3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCOc1cccc(N2N=C(C)C(C(=O)O)C2c2ccccc2F)c1
InChIInChI=1S/C18H17FN2O3/c1-11-16(18(22)23)17(14-8-3-4-9-15(14)19)21(20-11)12-6-5-7-13(10-12)24-2/h3-10,16-17H,1-2H3,(H,22,23)
InChIKeyDAXVUXYNXUJRGG-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.47
Rot. Bonds4

About 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid

3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid (PubChem CID 82072756) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid
PubChem CID82072756
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCOc1cccc(N2N=C(C)C(C(=O)O)C2c2ccccc2F)c1
InChIInChI=1S/C18H17FN2O3/c1-11-16(18(22)23)17(14-8-3-4-9-15(14)19)21(20-11)12-6-5-7-13(10-12)24-2/h3-10,16-17H,1-2H3,(H,22,23)
InChIKeyDAXVUXYNXUJRGG-UHFFFAOYSA-N
XLogP3.47
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-fluorophenyl)-2-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072721
2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid
CID 82072232
(4Z)-5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108644911
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602588
(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602551
(4E)-4-[(5-tert-butyl-2-methylphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602597
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
1-[(3R,3aS)-3-(2-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
CID 7453498
(4E)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108644721
3-(3-methoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 110457461
(4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602572
methyl (1S,3S,3aS,6aR)-3-ethyl-1-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 124914041

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid (CID 82072756) is 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid is COc1cccc(N2N=C(C)C(C(=O)O)C2c2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid?
The InChIKey is DAXVUXYNXUJRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-16(18(22)23)17(14-8-3-4-9-15(14)19)21(20-11)12-6-5-7-13(10-12)24-2/h3-10,16-17H,1-2H3,(H,22,23).
What are the key properties of 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid?
3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid has a molecular weight of 328.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 82072756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).