2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide

C11H14F4N4O2 — CID 842889

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)NN1CCOCC1
InChIInChI=1S/C11H14F4N4O2/c12-10(13)7-5-8(11(14)15)19(16-7)6-9(20)17-18-1-3-21-4-2-18/h5,10-11H,1-4,6H2,(H,17,20)
InChIKeyBCMTZZYTJJHXGX-UHFFFAOYSA-N
MW310.25 g/mol
LogP1.12
Rot. Bonds5

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide (PubChem CID 842889) has the molecular formula C11H14F4N4O2 and a molecular weight of 310.25 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
PubChem CID842889
Molecular FormulaC11H14F4N4O2
Molecular Weight310.25 g/mol
Exact Mass310.11
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)NN1CCOCC1
InChIInChI=1S/C11H14F4N4O2/c12-10(13)7-5-8(11(14)15)19(16-7)6-9(20)17-18-1-3-21-4-2-18/h5,10-11H,1-4,6H2,(H,17,20)
InChIKeyBCMTZZYTJJHXGX-UHFFFAOYSA-N
XLogP1.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 673378
N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2257667
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4769222
N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4770051
2-[3,5-Bis(difluoromethyl)pyrazol-1-yl]acetamide
CID 4765152
N-(4-methyl-1-piperazinyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 847249
N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 5147591
4-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}morpholine
CID 4769361
1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575258
N-[(2S)-1-methoxypropan-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 744108
N-[(2R)-1-methoxypropan-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 744109
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
CID 842952

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide (CID 842889) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide is O=C(Cn1nc(C(F)F)cc1C(F)F)NN1CCOCC1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The InChIKey is BCMTZZYTJJHXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N4O2/c12-10(13)7-5-8(11(14)15)19(16-7)6-9(20)17-18-1-3-21-4-2-18/h5,10-11H,1-4,6H2,(H,17,20).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide has a molecular weight of 310.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide is sourced from PubChem (CID 842889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).