6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid

C21H20N4O5 — CID 162150119

IUPAC6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid
SMILESCOc1cccc(-n2cc(-c3cnnc4cc(OC)c(OC)cc34)cn2)c1.O=CO
InChIInChI=1S/C20H18N4O3.CH2O2/c1-25-15-6-4-5-14(7-15)24-12-13(10-22-24)17-11-21-23-18-9-20(27-3)19(26-2)8-16(17)18;2-1-3/h4-12H,1-3H3;1H,(H,2,3)
InChIKeyZLCAAQBDPXTIKK-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.21
Rot. Bonds5

About 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid

6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid (PubChem CID 162150119) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid.

Molecular Properties

Compound Name6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid
PubChem CID162150119
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid
SMILESCOc1cccc(-n2cc(-c3cnnc4cc(OC)c(OC)cc34)cn2)c1.O=CO
InChIInChI=1S/C20H18N4O3.CH2O2/c1-25-15-6-4-5-14(7-15)24-12-13(10-22-24)17-11-21-23-18-9-20(27-3)19(26-2)8-16(17)18;2-1-3/h4-12H,1-3H3;1H,(H,2,3)
InChIKeyZLCAAQBDPXTIKK-UHFFFAOYSA-N
XLogP3.21
TPSA108.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline
CID 24745292
4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline
CID 11624384
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
CID 114798689
3,4-dimethoxy-5-(1-phenylpyrazol-4-yl)benzaldehyde
CID 82039924
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 24745290
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline
CID 59009061
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone
CID 162728427
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid?
The IUPAC name of 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid (CID 162150119) is 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid.
What is the SMILES notation for 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid?
The canonical SMILES for 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid is COc1cccc(-n2cc(-c3cnnc4cc(OC)c(OC)cc34)cn2)c1.O=CO.
What is the InChIKey of 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid?
The InChIKey is ZLCAAQBDPXTIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3.CH2O2/c1-25-15-6-4-5-14(7-15)24-12-13(10-22-24)17-11-21-23-18-9-20(27-3)19(26-2)8-16(17)18;2-1-3/h4-12H,1-3H3;1H,(H,2,3).
What are the key properties of 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid?
6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid has a molecular weight of 408.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid is sourced from PubChem (CID 162150119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).