3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine

C15H14N4 — CID 15576747

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine
SMILESCc1cc(C)n(-c2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C15H14N4/c1-11-10-12(2)19(18-11)15-9-8-14(16-17-15)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyBAAIMUNDXAWEBW-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine (PubChem CID 15576747) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine
PubChem CID15576747
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine
SMILESCc1cc(C)n(-c2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C15H14N4/c1-11-10-12(2)19(18-11)15-9-8-14(16-17-15)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyBAAIMUNDXAWEBW-UHFFFAOYSA-N
XLogP2.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine (CID 15576747) is 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine is Cc1cc(C)n(-c2ccc(-c3ccccc3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine?
The InChIKey is BAAIMUNDXAWEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-10-12(2)19(18-11)15-9-8-14(16-17-15)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine has a molecular weight of 250.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-phenylpyridazine is sourced from PubChem (CID 15576747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).