3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

C17H13ClF3N3O — CID 135235875

IUPAC3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1nn(C)c(Cl)c1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13ClF3N3O/c1-10-14(15(18)24(2)23-10)13-4-3-9-22-16(13)25-12-7-5-11(6-8-12)17(19,20)21/h3-9H,1-2H3
InChIKeyQZZUJHQLSOTAGV-UHFFFAOYSA-N
MW367.76 g/mol
LogP5.26
Rot. Bonds3

About 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 135235875) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
PubChem CID135235875
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1nn(C)c(Cl)c1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13ClF3N3O/c1-10-14(15(18)24(2)23-10)13-4-3-9-22-16(13)25-12-7-5-11(6-8-12)17(19,20)21/h3-9H,1-2H3
InChIKeyQZZUJHQLSOTAGV-UHFFFAOYSA-N
XLogP5.26
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.76
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine (CID 135235875) is 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine is Cc1nn(C)c(Cl)c1-c1cccnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is QZZUJHQLSOTAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c1-10-14(15(18)24(2)23-10)13-4-3-9-22-16(13)25-12-7-5-11(6-8-12)17(19,20)21/h3-9H,1-2H3.
What are the key properties of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 367.76 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 135235875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).