7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

C15H15ClN4O — CID 848991

IUPAC7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)cc1
InChIInChI=1S/C15H15ClN4O/c1-4-21-12-7-5-11(6-8-12)20-10(3)13-9(2)17-18-15(16)14(13)19-20/h5-8H,4H2,1-3H3
InChIKeyWOAICWFBBSSLCV-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.48
Rot. Bonds3

About 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 848991) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID848991
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)cc1
InChIInChI=1S/C15H15ClN4O/c1-4-21-12-7-5-11(6-8-12)20-10(3)13-9(2)17-18-15(16)14(13)19-20/h5-8H,4H2,1-3H3
InChIKeyWOAICWFBBSSLCV-UHFFFAOYSA-N
XLogP3.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 715493
1-(4-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10000554
6-(4-Ethoxy-phenyl)-1-isobutyl-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10065679
6-(4-Ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-D]pyridazine
CID 10089311
6-(4-Ethoxy-phenyl)-1-ethyl-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10357989
2-(4-ethoxyphenyl)-N,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
CID 56676650
7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazine
CID 1234295
2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl ethyl ether
CID 1234296
7-Chloro-2-(4-ethoxyphenyl)-3,4-diphenylpyrazolo[3,4-d]pyridazine
CID 1817362
6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-(3-methyl-butyl)-6H-pyrrolo[3,4-d]pyridazine
CID 44459729
2-(4-ethoxyphenyl)-N,N,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
CID 56683309
1-(3-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10069051

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 848991) is 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is CCOc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)cc1.
What is the InChIKey of 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is WOAICWFBBSSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-4-21-12-7-5-11(6-8-12)20-10(3)13-9(2)17-18-15(16)14(13)19-20/h5-8H,4H2,1-3H3.
What are the key properties of 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 302.77 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 848991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).