6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

C17H12F3N3O3 — CID 139220136

IUPAC6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)O)cn3)n2)cc1
InChIInChI=1S/C17H12F3N3O3/c1-26-12-5-2-10(3-6-12)13-8-14(17(18,19)20)23(22-13)15-7-4-11(9-21-15)16(24)25/h2-9H,1H3,(H,24,25)
InChIKeyDVTIEKDEHNXPFI-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.66
Rot. Bonds4

About 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 139220136) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID139220136
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)O)cn3)n2)cc1
InChIInChI=1S/C17H12F3N3O3/c1-26-12-5-2-10(3-6-12)13-8-14(17(18,19)20)23(22-13)15-7-4-11(9-21-15)16(24)25/h2-9H,1H3,(H,24,25)
InChIKeyDVTIEKDEHNXPFI-UHFFFAOYSA-N
XLogP3.66
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-Methoxyphenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4774630
1-[6-(3-Propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
1-[2-(4-Methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 754768
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]nicotinamide
CID 2810251
5-[1-(Tert-butoxycarbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 3240935
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
2-(5-(3-methoxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901619
2-(5-{[4-(trifluoromethyl)benzyl]oxy}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90204812
2-(5-((4-Methoxybenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 90204861
2-[5-[(4-Fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
2-{5-[(2-fluorobenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90204997
2-{5-[(3-fluorobenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90205376

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 139220136) is 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is COc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)O)cn3)n2)cc1.
What is the InChIKey of 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is DVTIEKDEHNXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-26-12-5-2-10(3-6-12)13-8-14(17(18,19)20)23(22-13)15-7-4-11(9-21-15)16(24)25/h2-9H,1H3,(H,24,25).
What are the key properties of 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 363.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 139220136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).