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

C20H18N4O3 — CID 24745292

IUPAC6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline
SMILESCOc1cccc(-n2cc(-c3cnnc4cc(OC)c(OC)cc34)cn2)c1
InChIInChI=1S/C20H18N4O3/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/h4-12H,1-3H3
InChIKeyLDYWJNJUMMVEIE-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.51
Rot. Bonds5

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

6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline (PubChem CID 24745292) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline
PubChem CID24745292
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline
SMILESCOc1cccc(-n2cc(-c3cnnc4cc(OC)c(OC)cc34)cn2)c1
InChIInChI=1S/C20H18N4O3/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/h4-12H,1-3H3
InChIKeyLDYWJNJUMMVEIE-UHFFFAOYSA-N
XLogP3.51
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid
CID 162150119
4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline
CID 11624384
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
CID 114798689
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
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
3,4-dimethoxy-5-(1-phenylpyrazol-4-yl)benzaldehyde
CID 82039924
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide
CID 59026374
1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole
CID 71098390
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline?
The IUPAC name of 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline (CID 24745292) is 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline.
What is the SMILES notation for 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline?
The canonical SMILES for 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline is COc1cccc(-n2cc(-c3cnnc4cc(OC)c(OC)cc34)cn2)c1.
What is the InChIKey of 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline?
The InChIKey is LDYWJNJUMMVEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/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/h4-12H,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline?
6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline has a molecular weight of 362.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline is sourced from PubChem (CID 24745292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).