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

C21H21F2N3O2 — CID 118430451

IUPAC5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2ccc(F)cc2F)c(OC(C)C)nn1-c1ccc(C2CC2)cn1
InChIInChI=1S/C21H21F2N3O2/c1-12(2)27-21-20(28-18-8-7-16(22)10-17(18)23)13(3)26(25-21)19-9-6-15(11-24-19)14-4-5-14/h6-12,14H,4-5H2,1-3H3
InChIKeyIFUMUQYKWLSWBT-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.31
Rot. Bonds6

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

5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (PubChem CID 118430451) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
PubChem CID118430451
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2ccc(F)cc2F)c(OC(C)C)nn1-c1ccc(C2CC2)cn1
InChIInChI=1S/C21H21F2N3O2/c1-12(2)27-21-20(28-18-8-7-16(22)10-17(18)23)13(3)26(25-21)19-9-6-15(11-24-19)14-4-5-14/h6-12,14H,4-5H2,1-3H3
InChIKeyIFUMUQYKWLSWBT-UHFFFAOYSA-N
XLogP5.31
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (CID 118430451) is 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is Cc1c(Oc2ccc(F)cc2F)c(OC(C)C)nn1-c1ccc(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The InChIKey is IFUMUQYKWLSWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-12(2)27-21-20(28-18-8-7-16(22)10-17(18)23)13(3)26(25-21)19-9-6-15(11-24-19)14-4-5-14/h6-12,14H,4-5H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
5-cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine has a molecular weight of 385.41 g/mol, XLogP of 5.31, 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-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is sourced from PubChem (CID 118430451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).