6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid

C15H13F2N5O2 — CID 135303792

IUPAC6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid
SMILESCn1cc(N2N=C(c3ccc(C(F)F)nc3)C=CC2C(=O)O)cn1
InChIInChI=1S/C15H13F2N5O2/c1-21-8-10(7-19-21)22-13(15(23)24)5-4-11(20-22)9-2-3-12(14(16)17)18-6-9/h2-8,13-14H,1H3,(H,23,24)
InChIKeyCMUNQZVWYCDTAN-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.99
Rot. Bonds4

About 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid

6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid (PubChem CID 135303792) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid
PubChem CID135303792
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid
SMILESCn1cc(N2N=C(c3ccc(C(F)F)nc3)C=CC2C(=O)O)cn1
InChIInChI=1S/C15H13F2N5O2/c1-21-8-10(7-19-21)22-13(15(23)24)5-4-11(20-22)9-2-3-12(14(16)17)18-6-9/h2-8,13-14H,1H3,(H,23,24)
InChIKeyCMUNQZVWYCDTAN-UHFFFAOYSA-N
XLogP1.99
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid?
The IUPAC name of 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid (CID 135303792) is 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid is Cn1cc(N2N=C(c3ccc(C(F)F)nc3)C=CC2C(=O)O)cn1.
What is the InChIKey of 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid?
The InChIKey is CMUNQZVWYCDTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-21-8-10(7-19-21)22-13(15(23)24)5-4-11(20-22)9-2-3-12(14(16)17)18-6-9/h2-8,13-14H,1H3,(H,23,24).
What are the key properties of 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid?
6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid has a molecular weight of 333.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3H-pyridazine-3-carboxylic acid is sourced from PubChem (CID 135303792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).