1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid

C10H10F3N3O3 — CID 65453412

IUPAC1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1(C(=O)O)CC1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)6-1-4-16(15-6)5-7(17)14-9(2-3-9)8(18)19/h1,4H,2-3,5H2,(H,14,17)(H,18,19)
InChIKeyBBRVMGHCVWNVFS-UHFFFAOYSA-N
MW277.20 g/mol
LogP0.64
Rot. Bonds4

About 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 65453412) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID65453412
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1(C(=O)O)CC1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)6-1-4-16(15-6)5-7(17)14-9(2-3-9)8(18)19/h1,4H,2-3,5H2,(H,14,17)(H,18,19)
InChIKeyBBRVMGHCVWNVFS-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
CID 119251468
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813881
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
(2S,3R)-3-hydroxy-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 104965008
3-cyclopropyl-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
CID 81368723
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 60668203

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid (CID 65453412) is 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid is O=C(Cn1ccc(C(F)(F)F)n1)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is BBRVMGHCVWNVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c11-10(12,13)6-1-4-16(15-6)5-7(17)14-9(2-3-9)8(18)19/h1,4H,2-3,5H2,(H,14,17)(H,18,19).
What are the key properties of 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 277.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65453412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).