3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid

C14H19N5O2 — CID 20855176

IUPAC3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid
SMILESCc1nn(-c2ccc(N(C)C)nn2)c(C)c1CCC(=O)O
InChIInChI=1S/C14H19N5O2/c1-9-11(5-8-14(20)21)10(2)19(17-9)13-7-6-12(15-16-13)18(3)4/h6-7H,5,8H2,1-4H3,(H,20,21)
InChIKeyTYAVMWHVHNXXLX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.36
Rot. Bonds5

About 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid

3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid (PubChem CID 20855176) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid
PubChem CID20855176
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid
SMILESCc1nn(-c2ccc(N(C)C)nn2)c(C)c1CCC(=O)O
InChIInChI=1S/C14H19N5O2/c1-9-11(5-8-14(20)21)10(2)19(17-9)13-7-6-12(15-16-13)18(3)4/h6-7H,5,8H2,1-4H3,(H,20,21)
InChIKeyTYAVMWHVHNXXLX-UHFFFAOYSA-N
XLogP1.36
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid (CID 20855176) is 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid is Cc1nn(-c2ccc(N(C)C)nn2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The InChIKey is TYAVMWHVHNXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-11(5-8-14(20)21)10(2)19(17-9)13-7-6-12(15-16-13)18(3)4/h6-7H,5,8H2,1-4H3,(H,20,21).
What are the key properties of 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(dimethylamino)pyridazin-3-yl]-3,5-dimethylpyrazol-4-yl]propanoic acid is sourced from PubChem (CID 20855176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).