N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide

C17H19F2N5O2 — CID 146101874

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
SMILESCn1cc(NC(=O)CN2CCC(c3ccccc3)NC2=O)c(C(F)F)n1
InChIInChI=1S/C17H19F2N5O2/c1-23-9-13(15(22-23)16(18)19)20-14(25)10-24-8-7-12(21-17(24)26)11-5-3-2-4-6-11/h2-6,9,12,16H,7-8,10H2,1H3,(H,20,25)(H,21,26)
InChIKeyJUEYLXRSKRRSPD-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.45
Rot. Bonds5

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide (PubChem CID 146101874) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
PubChem CID146101874
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
SMILESCn1cc(NC(=O)CN2CCC(c3ccccc3)NC2=O)c(C(F)F)n1
InChIInChI=1S/C17H19F2N5O2/c1-23-9-13(15(22-23)16(18)19)20-14(25)10-24-8-7-12(21-17(24)26)11-5-3-2-4-6-11/h2-6,9,12,16H,7-8,10H2,1H3,(H,20,25)(H,21,26)
InChIKeyJUEYLXRSKRRSPD-UHFFFAOYSA-N
XLogP2.45
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide (CID 146101874) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide is Cn1cc(NC(=O)CN2CCC(c3ccccc3)NC2=O)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The InChIKey is JUEYLXRSKRRSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c1-23-9-13(15(22-23)16(18)19)20-14(25)10-24-8-7-12(21-17(24)26)11-5-3-2-4-6-11/h2-6,9,12,16H,7-8,10H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide has a molecular weight of 363.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 146101874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).