2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide

C17H18F3N3O2 — CID 51117583

IUPAC2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COC1CCCC1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)12-6-7-15(23-9-3-8-21-23)14(10-12)22-16(24)11-25-13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,22,24)
InChIKeyACZCSSHLPAXJET-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.79
Rot. Bonds5

About 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 51117583) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID51117583
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COC1CCCC1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)12-6-7-15(23-9-3-8-21-23)14(10-12)22-16(24)11-25-13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,22,24)
InChIKeyACZCSSHLPAXJET-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
2-(4-methoxyphenoxy)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725520
ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26725643
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78817314
1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
3-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 38079555
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
2-(3-fluoro-4-methoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725790
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 96525218
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 37011536

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 51117583) is 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(COC1CCCC1)Nc1cc(C(F)(F)F)ccc1-n1cccn1.
What is the InChIKey of 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ACZCSSHLPAXJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)12-6-7-15(23-9-3-8-21-23)14(10-12)22-16(24)11-25-13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,22,24).
What are the key properties of 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51117583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).