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

C19H19ClN4O2 — CID 122181304

IUPAC3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Cl
InChIInChI=1S/C19H19ClN4O2/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
InChIKeyNGMLGPJPKSVLOF-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.69
Rot. Bonds6

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

3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine (PubChem CID 122181304) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine.

Molecular Properties

Compound Name3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
PubChem CID122181304
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Cl
InChIInChI=1S/C19H19ClN4O2/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
InChIKeyNGMLGPJPKSVLOF-UHFFFAOYSA-N
XLogP4.69
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine with MolForge

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

Launch Full Analysis

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-Chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 16733178
5-Cyclopropyl-2-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine
CID 118430467
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine
CID 118430573
5-Cyclopropyl-2-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine
CID 118430590
3-Chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
CID 118430599
2-[4-(2-Chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine
CID 118430623
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine
CID 118430656
5-Cyclopropyl-2-[4-(2,3-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridine
CID 118430681
3-Cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine
CID 122181303
3-[4-(2-Bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
CID 122181305

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine?
The IUPAC name of 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine (CID 122181304) is 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine.
What is the SMILES notation for 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine?
The canonical SMILES for 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine is CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Cl.
What is the InChIKey of 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine?
The InChIKey is NGMLGPJPKSVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/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-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine?
3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine has a molecular weight of 370.84 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine is sourced from PubChem (CID 122181304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).