3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine

C17H23N5O2 — CID 75421709

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCCC(C4OCCO4)C3)nn2)n1
InChIInChI=1S/C17H23N5O2/c1-12-10-13(2)22(20-12)16-6-5-15(18-19-16)21-7-3-4-14(11-21)17-23-8-9-24-17/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3
InChIKeyNUHKVYASYMPAQL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine (PubChem CID 75421709) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine
PubChem CID75421709
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCCC(C4OCCO4)C3)nn2)n1
InChIInChI=1S/C17H23N5O2/c1-12-10-13(2)22(20-12)16-6-5-15(18-19-16)21-7-3-4-14(11-21)17-23-8-9-24-17/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3
InChIKeyNUHKVYASYMPAQL-UHFFFAOYSA-N
XLogP1.87
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine (CID 75421709) is 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine is Cc1cc(C)n(-c2ccc(N3CCCC(C4OCCO4)C3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine?
The InChIKey is NUHKVYASYMPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-10-13(2)22(20-12)16-6-5-15(18-19-16)21-7-3-4-14(11-21)17-23-8-9-24-17/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine has a molecular weight of 329.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 75421709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).