3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine

C18H14N4O — CID 15040788

IUPAC3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
SMILESCOc1ccc(-c2n[nH]c3nnc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-15-11-16(12-5-3-2-4-6-12)19-21-18(15)22-20-17/h2-11H,1H3,(H,20,21,22)
InChIKeyNXMBOIZOBXCTLQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.70
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine

3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine (PubChem CID 15040788) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
PubChem CID15040788
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
SMILESCOc1ccc(-c2n[nH]c3nnc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-15-11-16(12-5-3-2-4-6-12)19-21-18(15)22-20-17/h2-11H,1H3,(H,20,21,22)
InChIKeyNXMBOIZOBXCTLQ-UHFFFAOYSA-N
XLogP3.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine
CID 15040792
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
CID 141386587
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 132505617
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
2,6-bis(4-methoxyphenyl)-4-methylpyridin-3-amine
CID 66615323

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine (CID 15040788) is 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine is COc1ccc(-c2n[nH]c3nnc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The InChIKey is NXMBOIZOBXCTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-15-11-16(12-5-3-2-4-6-12)19-21-18(15)22-20-17/h2-11H,1H3,(H,20,21,22).
What are the key properties of 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine has a molecular weight of 302.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 15040788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).