2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine

C20H20BrN3O2 — CID 118430579

IUPAC2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1Br
InChIInChI=1S/C20H20BrN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3
InChIKeyYPVMRGQFTMQCGS-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.41
Rot. Bonds6

About 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine

2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine (PubChem CID 118430579) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine.

Molecular Properties

Compound Name2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine
PubChem CID118430579
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1Br
InChIInChI=1S/C20H20BrN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3
InChIKeyYPVMRGQFTMQCGS-UHFFFAOYSA-N
XLogP5.41
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dhodh-IN-1
CID 118430456
hDHODH-IN-3
CID 118430627
Ipp/cnrs-A019
CID 118430525
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-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-bromopyridine
CID 118430418
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
5-Cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine
CID 118430467
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 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine?
The IUPAC name of 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine (CID 118430579) is 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine.
What is the SMILES notation for 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine?
The canonical SMILES for 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine is CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1Br.
What is the InChIKey of 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine?
The InChIKey is YPVMRGQFTMQCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3.
What are the key properties of 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine?
2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine has a molecular weight of 414.30 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine is sourced from PubChem (CID 118430579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).