5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine

C21H22FN3O2 — CID 118430525

IUPAC5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2ccc(F)cc2)c(OC(C)C)nn1-c1ccc(C2CC2)cn1
InChIInChI=1S/C21H22FN3O2/c1-13(2)26-21-20(27-18-9-7-17(22)8-10-18)14(3)25(24-21)19-11-6-16(12-23-19)15-4-5-15/h6-13,15H,4-5H2,1-3H3
InChIKeyRDNHAVKDNYIJLE-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.17
Rot. Bonds6

About 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine

5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (PubChem CID 118430525) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
PubChem CID118430525
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2ccc(F)cc2)c(OC(C)C)nn1-c1ccc(C2CC2)cn1
InChIInChI=1S/C21H22FN3O2/c1-13(2)26-21-20(27-18-9-7-17(22)8-10-18)14(3)25(24-21)19-11-6-16(12-23-19)15-4-5-15/h6-13,15H,4-5H2,1-3H3
InChIKeyRDNHAVKDNYIJLE-UHFFFAOYSA-N
XLogP5.17
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (CID 118430525) is 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is Cc1c(Oc2ccc(F)cc2)c(OC(C)C)nn1-c1ccc(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The InChIKey is RDNHAVKDNYIJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13(2)26-21-20(27-18-9-7-17(22)8-10-18)14(3)25(24-21)19-11-6-16(12-23-19)15-4-5-15/h6-13,15H,4-5H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine has a molecular weight of 367.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-(4-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is sourced from PubChem (CID 118430525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).