2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

C16H16F3N3O3 — CID 134393454

IUPAC2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O
InChIInChI=1S/C16H16F3N3O3/c1-10-11(14(23)24)2-3-12(20-10)22-8-4-13(21-22)25-9-7-15(5-6-15)16(17,18)19/h2-4,8H,5-7,9H2,1H3,(H,23,24)
InChIKeyUYNNKKHMIKFYFH-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.39
Rot. Bonds6

About 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 134393454) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID134393454
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O
InChIInChI=1S/C16H16F3N3O3/c1-10-11(14(23)24)2-3-12(20-10)22-8-4-13(21-22)25-9-7-15(5-6-15)16(17,18)19/h2-4,8H,5-7,9H2,1H3,(H,23,24)
InChIKeyUYNNKKHMIKFYFH-UHFFFAOYSA-N
XLogP3.39
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (CID 134393454) is 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is UYNNKKHMIKFYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-10-11(14(23)24)2-3-12(20-10)22-8-4-13(21-22)25-9-7-15(5-6-15)16(17,18)19/h2-4,8H,5-7,9H2,1H3,(H,23,24).
What are the key properties of 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134393454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).