2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide

C13H16ClF3N4O2 — CID 4767811

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NN1CCOCC1
InChIInChI=1S/C13H16ClF3N4O2/c14-10-11(8-1-2-8)21(19-12(10)13(15,16)17)7-9(22)18-20-3-5-23-6-4-20/h8H,1-7H2,(H,18,22)
InChIKeyKEBFEXVFJLNBBO-UHFFFAOYSA-N
MW352.74 g/mol
LogP1.80
Rot. Bonds4

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide (PubChem CID 4767811) has the molecular formula C13H16ClF3N4O2 and a molecular weight of 352.74 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
PubChem CID4767811
Molecular FormulaC13H16ClF3N4O2
Molecular Weight352.74 g/mol
Exact Mass352.09
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NN1CCOCC1
InChIInChI=1S/C13H16ClF3N4O2/c14-10-11(8-1-2-8)21(19-12(10)13(15,16)17)7-9(22)18-20-3-5-23-6-4-20/h8H,1-7H2,(H,18,22)
InChIKeyKEBFEXVFJLNBBO-UHFFFAOYSA-N
XLogP1.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-morpholinopropanamide
CID 4768094
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4768096
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4768372
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770913
4-{2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}morpholine
CID 4768333
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
CID 4768609
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(morpholin-4-yl)ethanone
CID 19575226
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide
CID 842952
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 4768536
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4768659
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 4768663
3-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4769366

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide (CID 4767811) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide is O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NN1CCOCC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
The InChIKey is KEBFEXVFJLNBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N4O2/c14-10-11(8-1-2-8)21(19-12(10)13(15,16)17)7-9(22)18-20-3-5-23-6-4-20/h8H,1-7H2,(H,18,22).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide has a molecular weight of 352.74 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylacetamide is sourced from PubChem (CID 4767811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).