1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine

C18H14N4O — CID 146152396

IUPAC1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine
SMILESCOc1nnc(-c2ccccc2-n2cccn2)c2ccccc12
InChIInChI=1S/C18H14N4O/c1-23-18-14-8-3-2-7-13(14)17(20-21-18)15-9-4-5-10-16(15)22-12-6-11-19-22/h2-12H,1H3
InChIKeySURFTYPYJSIJEH-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.49
Rot. Bonds3

About 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine

1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine (PubChem CID 146152396) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine.

Molecular Properties

Compound Name1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine
PubChem CID146152396
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine
SMILESCOc1nnc(-c2ccccc2-n2cccn2)c2ccccc12
InChIInChI=1S/C18H14N4O/c1-23-18-14-8-3-2-7-13(14)17(20-21-18)15-9-4-5-10-16(15)22-12-6-11-19-22/h2-12H,1H3
InChIKeySURFTYPYJSIJEH-UHFFFAOYSA-N
XLogP3.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
3-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)isoquinoline
CID 53322495
1-Phenyl-4-(pyridin-3-ylmethoxy)phthalazine
CID 2946660
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
8-ethoxy-3-(3-methoxyphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990640
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223243
2-(4-(2-(4-(dimethylamino)phenyl)pyridin-4-yl)-5-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl)acetonitrile
CID 45482631
2-[4-[2-[4-(Dimethylamino)phenyl]-4-pyridinyl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483003

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine?
The IUPAC name of 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine (CID 146152396) is 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine.
What is the SMILES notation for 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine?
The canonical SMILES for 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine is COc1nnc(-c2ccccc2-n2cccn2)c2ccccc12.
What is the InChIKey of 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine?
The InChIKey is SURFTYPYJSIJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-18-14-8-3-2-7-13(14)17(20-21-18)15-9-4-5-10-16(15)22-12-6-11-19-22/h2-12H,1H3.
What are the key properties of 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine?
1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine has a molecular weight of 302.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine is sourced from PubChem (CID 146152396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).