1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

C17H12F3N3O3 — CID 23090313

IUPAC1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H12F3N3O3/c1-26-15-7-6-12(9-21-15)23-14(8-13(22-23)16(24)25)10-2-4-11(5-3-10)17(18,19)20/h2-9H,1H3,(H,24,25)
InChIKeyRCMVMHOKRUFCOH-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.66
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (PubChem CID 23090313) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
PubChem CID23090313
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H12F3N3O3/c1-26-15-7-6-12(9-21-15)23-14(8-13(22-23)16(24)25)10-2-4-11(5-3-10)17(18,19)20/h2-9H,1H3,(H,24,25)
InChIKeyRCMVMHOKRUFCOH-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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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (CID 23090313) is 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The InChIKey is RCMVMHOKRUFCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-26-15-7-6-12(9-21-15)23-14(8-13(22-23)16(24)25)10-2-4-11(5-3-10)17(18,19)20/h2-9H,1H3,(H,24,25).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-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 1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 23090313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).