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3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid

C16H12F3N3O3 — CID 70180073

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid
SMILESCOCc1nn(-c2ccnc3c(C(F)(F)F)cccc23)cc1C(=O)O
InChIInChI=1S/C16H12F3N3O3/c1-25-8-12-10(15(23)24)7-22(21-12)13-5-6-20-14-9(13)3-2-4-11(14)16(17,18)19/h2-7H,8H2,1H3,(H,23,24)
InChIKeyLWIXZHKAFHVLRV-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.28
Rot. Bonds4

About 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid

3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 70180073) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid
PubChem CID70180073
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid
SMILESCOCc1nn(-c2ccnc3c(C(F)(F)F)cccc23)cc1C(=O)O
InChIInChI=1S/C16H12F3N3O3/c1-25-8-12-10(15(23)24)7-22(21-12)13-5-6-20-14-9(13)3-2-4-11(14)16(17,18)19/h2-7H,8H2,1H3,(H,23,24)
InChIKeyLWIXZHKAFHVLRV-UHFFFAOYSA-N
XLogP3.28
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid (CID 70180073) is 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid is COCc1nn(-c2ccnc3c(C(F)(F)F)cccc23)cc1C(=O)O.
What is the InChIKey of 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is LWIXZHKAFHVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-25-8-12-10(15(23)24)7-22(21-12)13-5-6-20-14-9(13)3-2-4-11(14)16(17,18)19/h2-7H,8H2,1H3,(H,23,24).
What are the key properties of 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid?
3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 351.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 70180073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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