1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine

C16H18N4 — CID 82700548

IUPAC1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine
SMILESCCc1cc(CC)n(-c2nnc(C)c3ccccc23)n1
InChIInChI=1S/C16H18N4/c1-4-12-10-13(5-2)20(19-12)16-15-9-7-6-8-14(15)11(3)17-18-16/h6-10H,4-5H2,1-3H3
InChIKeyNMKVLUOAJCILGJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.25
Rot. Bonds3

About 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine

1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine (PubChem CID 82700548) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine.

Molecular Properties

Compound Name1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine
PubChem CID82700548
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine
SMILESCCc1cc(CC)n(-c2nnc(C)c3ccccc23)n1
InChIInChI=1S/C16H18N4/c1-4-12-10-13(5-2)20(19-12)16-15-9-7-6-8-14(15)11(3)17-18-16/h6-10H,4-5H2,1-3H3
InChIKeyNMKVLUOAJCILGJ-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine?
The IUPAC name of 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine (CID 82700548) is 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine.
What is the SMILES notation for 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine?
The canonical SMILES for 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine is CCc1cc(CC)n(-c2nnc(C)c3ccccc23)n1.
What is the InChIKey of 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine?
The InChIKey is NMKVLUOAJCILGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-4-12-10-13(5-2)20(19-12)16-15-9-7-6-8-14(15)11(3)17-18-16/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine?
1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine has a molecular weight of 266.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine is sourced from PubChem (CID 82700548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).