2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone

C16H23F2N5O3 — CID 56905349

IUPAC2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2COCCN2C(=O)c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C16H23F2N5O3/c1-20-4-6-21(7-5-20)14(24)10-12-11-26-9-8-22(12)15(25)13-2-3-23(19-13)16(17)18/h2-3,12,16H,4-11H2,1H3
InChIKeyWIYYBYSSDNXCRG-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.28
Rot. Bonds4

About 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 56905349) has the molecular formula C16H23F2N5O3 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID56905349
Molecular FormulaC16H23F2N5O3
Molecular Weight371.39 g/mol
Exact Mass371.18
IUPAC Name2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2COCCN2C(=O)c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C16H23F2N5O3/c1-20-4-6-21(7-5-20)14(24)10-12-11-26-9-8-22(12)15(25)13-2-3-23(19-13)16(17)18/h2-3,12,16H,4-11H2,1H3
InChIKeyWIYYBYSSDNXCRG-UHFFFAOYSA-N
XLogP0.28
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 56905349) is 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2COCCN2C(=O)c2ccn(C(F)F)n2)CC1.
What is the InChIKey of 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WIYYBYSSDNXCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N5O3/c1-20-4-6-21(7-5-20)14(24)10-12-11-26-9-8-22(12)15(25)13-2-3-23(19-13)16(17)18/h2-3,12,16H,4-11H2,1H3.
What are the key properties of 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 371.39 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(difluoromethyl)pyrazole-3-carbonyl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56905349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).