N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide

C13H17F3N4O2S — CID 49054628

IUPACN-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide
SMILESO=C(CSC(F)(F)F)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C13H17F3N4O2S/c14-13(15,16)23-8-12(22)19-10-5-17-20(6-10)7-11(21)18-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,18,21)(H,19,22)
InChIKeyNCAPOUVOVOGQNR-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.13
Rot. Bonds6

About N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide

N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide (PubChem CID 49054628) has the molecular formula C13H17F3N4O2S and a molecular weight of 350.37 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide
PubChem CID49054628
Molecular FormulaC13H17F3N4O2S
Molecular Weight350.37 g/mol
Exact Mass350.10
IUPAC NameN-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide
SMILESO=C(CSC(F)(F)F)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C13H17F3N4O2S/c14-13(15,16)23-8-12(22)19-10-5-17-20(6-10)7-11(21)18-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,18,21)(H,19,22)
InChIKeyNCAPOUVOVOGQNR-UHFFFAOYSA-N
XLogP2.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide hydrochloride
CID 71298695
N-(1-cyclopentylpyrazol-4-yl)-3-sulfanylpropanamide
CID 177680668
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-sulfanylpropanamide
CID 177681353
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide
CID 28313580
(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 99822985
(2S)-N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 121519170
2-(4-Amino-1h-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43445368
2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 155225342
[3-[(1-Methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride
CID 155388447
N-(3-aminocyclopentyl)-2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide;hydrochloride
CID 173904060
2-[4-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide
CID 43783599
N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078937

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide (CID 49054628) is N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide is O=C(CSC(F)(F)F)Nc1cnn(CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide?
The InChIKey is NCAPOUVOVOGQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2S/c14-13(15,16)23-8-12(22)19-10-5-17-20(6-10)7-11(21)18-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,18,21)(H,19,22).
What are the key properties of N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide?
N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide has a molecular weight of 350.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 49054628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).