(3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone

C17H16F2N6O — CID 59003556

IUPAC(3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CC(F)(F)C3)cc2-c2ccn(C)c2)nn1
InChIInChI=1S/C17H16F2N6O/c1-11-3-4-15(21-20-11)25-14(12-5-6-23(2)8-12)7-13(22-25)16(26)24-9-17(18,19)10-24/h3-8H,9-10H2,1-2H3
InChIKeyVTCPKMQUFPHEFL-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.07
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone

(3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone (PubChem CID 59003556) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
PubChem CID59003556
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name(3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CC(F)(F)C3)cc2-c2ccn(C)c2)nn1
InChIInChI=1S/C17H16F2N6O/c1-11-3-4-15(21-20-11)25-14(12-5-6-23(2)8-12)7-13(22-25)16(26)24-9-17(18,19)10-24/h3-8H,9-10H2,1-2H3
InChIKeyVTCPKMQUFPHEFL-UHFFFAOYSA-N
XLogP2.07
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone (CID 59003556) is (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone is Cc1ccc(-n2nc(C(=O)N3CC(F)(F)C3)cc2-c2ccn(C)c2)nn1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The InChIKey is VTCPKMQUFPHEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c1-11-3-4-15(21-20-11)25-14(12-5-6-23(2)8-12)7-13(22-25)16(26)24-9-17(18,19)10-24/h3-8H,9-10H2,1-2H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone has a molecular weight of 358.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 59003556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).