3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine

C19H19BrN4O2 — CID 122181305

IUPAC3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Br
InChIInChI=1S/C19H19BrN4O2/c1-3-25-19-18(26-16-7-5-4-6-14(16)20)12(2)24(23-19)17-11-10-15(21-22-17)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3
InChIKeyPSMRORAKZOBLCG-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.80
Rot. Bonds6

About 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine

3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine (PubChem CID 122181305) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine.

Molecular Properties

Compound Name3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
PubChem CID122181305
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Br
InChIInChI=1S/C19H19BrN4O2/c1-3-25-19-18(26-16-7-5-4-6-14(16)20)12(2)24(23-19)17-11-10-15(21-22-17)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3
InChIKeyPSMRORAKZOBLCG-UHFFFAOYSA-N
XLogP4.80
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine
CID 118430657
3-Cyclopropyl-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
CID 118430682
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine
CID 118430573
2-[4-(2-Bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine
CID 118430579
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine
CID 118430656
3-Cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine
CID 122181303
3-[4-(2-Chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
CID 122181304
3-Cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
CID 122181306
3-Cyclopropyl-6-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
CID 122181307
3-Cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
CID 122181308
3-Cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
CID 122181310
3-Cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
CID 122181311

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine?
The IUPAC name of 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine (CID 122181305) is 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine.
What is the SMILES notation for 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine?
The canonical SMILES for 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine is CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Br.
What is the InChIKey of 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine?
The InChIKey is PSMRORAKZOBLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-3-25-19-18(26-16-7-5-4-6-14(16)20)12(2)24(23-19)17-11-10-15(21-22-17)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3.
What are the key properties of 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine?
3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine has a molecular weight of 415.29 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine is sourced from PubChem (CID 122181305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).