4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid

C18H14F2N2O3 — CID 46398734

IUPAC4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OCc2ccc(F)cc2)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O3/c19-14-5-1-12(2-6-14)10-22-17(18(23)24)16(9-21-22)25-11-13-3-7-15(20)8-4-13/h1-9H,10-11H2,(H,23,24)
InChIKeyFCOJPTNJJCFRCB-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.49
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid

4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid (PubChem CID 46398734) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid
PubChem CID46398734
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OCc2ccc(F)cc2)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O3/c19-14-5-1-12(2-6-14)10-22-17(18(23)24)16(9-21-22)25-11-13-3-7-15(20)8-4-13/h1-9H,10-11H2,(H,23,24)
InChIKeyFCOJPTNJJCFRCB-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid 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

4-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxylic acid
CID 117232726
1-[(4-fluorophenyl)methyl]-5-methoxypyrazole-4-carboxylic acid
CID 115069336
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
CID 13373245
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232718
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
1-[(4-fluorophenyl)methyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 21079394
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 63275359
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
CID 10150620
5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole
CID 117232705
1-[(3-methylphenyl)methyl]-4-phenoxypyrazole-5-carboxylic acid
CID 117232583

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid (CID 46398734) is 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid is O=C(O)c1c(OCc2ccc(F)cc2)cnn1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid?
The InChIKey is FCOJPTNJJCFRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c19-14-5-1-12(2-6-14)10-22-17(18(23)24)16(9-21-22)25-11-13-3-7-15(20)8-4-13/h1-9H,10-11H2,(H,23,24).
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid?
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid has a molecular weight of 344.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 46398734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).