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

C12H14F3N3O3 — CID 43351112

IUPAC1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)8-3-6-18(17-8)7-9(19)16-11(10(20)21)4-1-2-5-11/h3,6H,1-2,4-5,7H2,(H,16,19)(H,20,21)
InChIKeyOKGPEJVSUWNAKA-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.42
Rot. Bonds4

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

1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43351112) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43351112
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)8-3-6-18(17-8)7-9(19)16-11(10(20)21)4-1-2-5-11/h3,6H,1-2,4-5,7H2,(H,16,19)(H,20,21)
InChIKeyOKGPEJVSUWNAKA-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 43351112) is 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1ccc(C(F)(F)F)n1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OKGPEJVSUWNAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)8-3-6-18(17-8)7-9(19)16-11(10(20)21)4-1-2-5-11/h3,6H,1-2,4-5,7H2,(H,16,19)(H,20,21).
What are the key properties of 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 1.42, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).