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

C15H13ClF3N3O3 — CID 134393620

IUPAC4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl
InChIInChI=1S/C15H13ClF3N3O3/c16-10-7-11(20-8-9(10)13(23)24)22-5-1-12(21-22)25-6-4-14(2-3-14)15(17,18)19/h1,5,7-8H,2-4,6H2,(H,23,24)
InChIKeyUTXFTCKVBFSMMK-UHFFFAOYSA-N
MW375.73 g/mol
LogP3.73
Rot. Bonds6

About 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 134393620) has the molecular formula C15H13ClF3N3O3 and a molecular weight of 375.73 g/mol. Its IUPAC name is 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID134393620
Molecular FormulaC15H13ClF3N3O3
Molecular Weight375.73 g/mol
Exact Mass375.06
IUPAC Name4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl
InChIInChI=1S/C15H13ClF3N3O3/c16-10-7-11(20-8-9(10)13(23)24)22-5-1-12(21-22)25-6-4-14(2-3-14)15(17,18)19/h1,5,7-8H,2-4,6H2,(H,23,24)
InChIKeyUTXFTCKVBFSMMK-UHFFFAOYSA-N
XLogP3.73
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (CID 134393620) is 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.
What is the InChIKey of 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is UTXFTCKVBFSMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3/c16-10-7-11(20-8-9(10)13(23)24)22-5-1-12(21-22)25-6-4-14(2-3-14)15(17,18)19/h1,5,7-8H,2-4,6H2,(H,23,24).
What are the key properties of 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 375.73 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134393620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).