1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid

C19H15F3N2O4 — CID 15470750

IUPAC1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H15F3N2O4/c1-27-15-7-5-14(6-8-15)24-17(16(10-23-24)18(25)26)28-11-12-3-2-4-13(9-12)19(20,21)22/h2-10H,11H2,1H3,(H,25,26)
InChIKeyJKMINQWBDPQANR-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.18
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid

1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid (PubChem CID 15470750) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid
PubChem CID15470750
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Name1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H15F3N2O4/c1-27-15-7-5-14(6-8-15)24-17(16(10-23-24)18(25)26)28-11-12-3-2-4-13(9-12)19(20,21)22/h2-10H,11H2,1H3,(H,25,26)
InChIKeyJKMINQWBDPQANR-UHFFFAOYSA-N
XLogP4.18
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Butoxy-3-cyanophenyl)pyrazole-4-carboxylic acid
CID 15407387
1-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 5169045
1-[3-Cyano-4-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 141532542
1-(4-Isobutoxy-phenyl)-1H-pyrazole-4-carboxylic acid
CID 44382632
Ethyl 1-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134909970
1-(4-fluorobenzyl)-3-((4-fluorobenzyl)oxy)-1H-pyrazole-4-carboxylic acid
CID 44116775
1-(3-fluorobenzyl)-3-((3-fluorobenzyl)oxy)-1H-pyrazole-4-carboxylic acid
CID 44116776
5-[(4-fluorophenyl)methoxy]-1-(4-methoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)pyrazole-4-carboxamide
CID 21851104
ethyl 1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylate
CID 44818853
1-(4-Ethoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 57963766
3-[1-[4-(Difluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid
CID 58156643
3-[1-[4-(Trifluoromethoxy)phenyl]pyrazol-4-yl]benzoic acid
CID 58156809

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid (CID 15470750) is 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid is COc1ccc(-n2ncc(C(=O)O)c2OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid?
The InChIKey is JKMINQWBDPQANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-27-15-7-5-14(6-8-15)24-17(16(10-23-24)18(25)26)28-11-12-3-2-4-13(9-12)19(20,21)22/h2-10H,11H2,1H3,(H,25,26).
What are the key properties of 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid?
1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid has a molecular weight of 392.33 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole-4-carboxylic acid is sourced from PubChem (CID 15470750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).