2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid

C12H14F3N3O3 — CID 43655345

IUPAC2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-4-18(16-9)6-10(19)17(7-11(20)21)5-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,20,21)
InChIKeyZKPPACSGLIBZHO-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.23
Rot. Bonds6

About 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid

2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid (PubChem CID 43655345) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
PubChem CID43655345
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-4-18(16-9)6-10(19)17(7-11(20)21)5-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,20,21)
InChIKeyZKPPACSGLIBZHO-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115776316
N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55541052
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 43393908
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide;hydrochloride
CID 120884403
N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 95778125
3-cyclopropyl-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
CID 81368723
1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
CID 115761326
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 79291704
N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134028338

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid (CID 43655345) is 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The InChIKey is ZKPPACSGLIBZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-4-18(16-9)6-10(19)17(7-11(20)21)5-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,20,21).
What are the key properties of 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid has a molecular weight of 305.26 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 43655345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).