4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline

C20H18N4O2 — CID 11624384

IUPAC4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline
SMILESCOc1cc2nncc(-c3cnn(Cc4ccccc4)c3)c2cc1OC
InChIInChI=1S/C20H18N4O2/c1-25-19-8-16-17(11-21-23-18(16)9-20(19)26-2)15-10-22-24(13-15)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyWYUYTSWOLNCGCY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.56
Rot. Bonds5

About 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline

4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline (PubChem CID 11624384) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline.

Molecular Properties

Compound Name4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline
PubChem CID11624384
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline
SMILESCOc1cc2nncc(-c3cnn(Cc4ccccc4)c3)c2cc1OC
InChIInChI=1S/C20H18N4O2/c1-25-19-8-16-17(11-21-23-18(16)9-20(19)26-2)15-10-22-24(13-15)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyWYUYTSWOLNCGCY-UHFFFAOYSA-N
XLogP3.56
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline
CID 24745292
6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid
CID 162150119
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
5-(6,7-dimethoxycinnolin-4-yl)pyridin-2-amine
CID 57395734
4-(1-benzylpyrazol-4-yl)-2-chloro-5-fluorophenol
CID 138381254
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 59009050
3-(1-benzylpyrazol-4-yl)-N-(2,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 72944030
methyl 4-(1-benzylpyrazol-4-yl)-5-chlorothiophene-2-carboxylate
CID 68761823
2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 24745290
4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328526
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline?
The IUPAC name of 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline (CID 11624384) is 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline.
What is the SMILES notation for 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline?
The canonical SMILES for 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline is COc1cc2nncc(-c3cnn(Cc4ccccc4)c3)c2cc1OC.
What is the InChIKey of 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline?
The InChIKey is WYUYTSWOLNCGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-25-19-8-16-17(11-21-23-18(16)9-20(19)26-2)15-10-22-24(13-15)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline?
4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline has a molecular weight of 346.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline is sourced from PubChem (CID 11624384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).