7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine

C22H21N3O2Se — CID 164610819

IUPAC7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine
SMILESCOc1cc(-c2cncc3cc(-c4ccc(C)cc4)nn23)cc([Se]C)c1OC
InChIInChI=1S/C22H21N3O2Se/c1-14-5-7-15(8-6-14)18-11-17-12-23-13-19(25(17)24-18)16-9-20(26-2)22(27-3)21(10-16)28-4/h5-13H,1-4H3
InChIKeyRZGFUBHJVPMXMJ-UHFFFAOYSA-N
MW438.39 g/mol
LogP3.77
Rot. Bonds5

About 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine

7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 164610819) has the molecular formula C22H21N3O2Se and a molecular weight of 438.39 g/mol. Its IUPAC name is 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine
PubChem CID164610819
Molecular FormulaC22H21N3O2Se
Molecular Weight438.39 g/mol
Exact Mass439.08
IUPAC Name7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine
SMILESCOc1cc(-c2cncc3cc(-c4ccc(C)cc4)nn23)cc([Se]C)c1OC
InChIInChI=1S/C22H21N3O2Se/c1-14-5-7-15(8-6-14)18-11-17-12-23-13-19(25(17)24-18)16-9-20(26-2)22(27-3)21(10-16)28-4/h5-13H,1-4H3
InChIKeyRZGFUBHJVPMXMJ-UHFFFAOYSA-N
XLogP3.77
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
3-(4-Fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2136907
(5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10731528
2-ethyl-7-(4-methoxy-2-methylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
CID 21984746
6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90466192
6-(3,4-Dimethoxyphenyl)-3-phenyl-[1,2]thiazolo[4,3-b]pyridine
CID 90466196
6-Benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 126672987
4-[[1-(4-Cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]pyridine-2-carbonitrile
CID 56591634
4-[8-[[3-(Dimethylamino)phenyl]methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591729
4-(3-Ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile
CID 56592003
4-(7,8-Dimethoxy-3-propylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
CID 56592005

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine (CID 164610819) is 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine is COc1cc(-c2cncc3cc(-c4ccc(C)cc4)nn23)cc([Se]C)c1OC.
What is the InChIKey of 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is RZGFUBHJVPMXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2Se/c1-14-5-7-15(8-6-14)18-11-17-12-23-13-19(25(17)24-18)16-9-20(26-2)22(27-3)21(10-16)28-4/h5-13H,1-4H3.
What are the key properties of 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine?
7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 438.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 164610819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).