5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine

C20H19Cl2N3O2 — CID 118430467

IUPAC5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-3-26-20-19(27-17-10-15(21)7-8-16(17)22)12(2)25(24-20)18-9-6-14(11-23-18)13-4-5-13/h6-11,13H,3-5H2,1-2H3
InChIKeyAGRRQFJSBYJXEA-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.95
Rot. Bonds6

About 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine

5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine (PubChem CID 118430467) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine
PubChem CID118430467
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-3-26-20-19(27-17-10-15(21)7-8-16(17)22)12(2)25(24-20)18-9-6-14(11-23-18)13-4-5-13/h6-11,13H,3-5H2,1-2H3
InChIKeyAGRRQFJSBYJXEA-UHFFFAOYSA-N
XLogP5.95
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dhodh-IN-1
CID 118430456
Ipp/cnrs-A019
CID 118430525
2-[4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]pyridine
CID 6482617
5-Cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
CID 118430405
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-fluoro-5-propylpyridine
CID 118430417
2-[4-(3,5-Dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-ethylpyrimidine
CID 118430435
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyridine
CID 118430450
5-Cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 118430451
5-Cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-methoxypyridine
CID 118430459
5-Cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
CID 118430462
2-[4-(2-Chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-ethylpyrimidine
CID 118430470
5-Cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol
CID 118430473

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine (CID 118430467) is 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine is CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine?
The InChIKey is AGRRQFJSBYJXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-3-26-20-19(27-17-10-15(21)7-8-16(17)22)12(2)25(24-20)18-9-6-14(11-23-18)13-4-5-13/h6-11,13H,3-5H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine?
5-cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine has a molecular weight of 404.30 g/mol, XLogP of 5.95, 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-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine is sourced from PubChem (CID 118430467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).