1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid

C19H15F3N2O3 — CID 11406237

IUPAC1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(F)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C19H15F3N2O3/c1-11-6-17(19(25)26)23-24(11)9-13-7-14(20)4-5-18(13)27-10-12-2-3-15(21)8-16(12)22/h2-8H,9-10H2,1H3,(H,25,26)
InChIKeyAPPPPSTYYVIZQT-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.93
Rot. Bonds6

About 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid

1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 11406237) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID11406237
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(F)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C19H15F3N2O3/c1-11-6-17(19(25)26)23-24(11)9-13-7-14(20)4-5-18(13)27-10-12-2-3-15(21)8-16(12)22/h2-8H,9-10H2,1H3,(H,25,26)
InChIKeyAPPPPSTYYVIZQT-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid (CID 11406237) is 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1Cc1cc(F)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is APPPPSTYYVIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-11-6-17(19(25)26)23-24(11)9-13-7-14(20)4-5-18(13)27-10-12-2-3-15(21)8-16(12)22/h2-8H,9-10H2,1H3,(H,25,26).
What are the key properties of 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid?
1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 376.33 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 11406237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).