methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate

C12H14F3N3O3 — CID 19520968

IUPACmethyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H14F3N3O3/c1-21-11(20)5-16-10(19)6-18-8(7-2-3-7)4-9(17-18)12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,19)
InChIKeyCAFRDYJGAKXDNC-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.07
Rot. Bonds5

About methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate

methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (PubChem CID 19520968) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
PubChem CID19520968
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Namemethyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H14F3N3O3/c1-21-11(20)5-16-10(19)6-18-8(7-2-3-7)4-9(17-18)12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,19)
InChIKeyCAFRDYJGAKXDNC-UHFFFAOYSA-N
XLogP1.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate with MolForge

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Related Compounds

2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
CID 892173
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 893028
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733
N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2257667
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 6485414
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 7017068
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808666
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 4116900
2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid
CID 6485415
N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 5147591
ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
N-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}cyclobutanecarboxamide
CID 71807723

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (CID 19520968) is methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is COC(=O)CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The InChIKey is CAFRDYJGAKXDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-21-11(20)5-16-10(19)6-18-8(7-2-3-7)4-9(17-18)12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,19).
What are the key properties of methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate has a molecular weight of 305.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 19520968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).