2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

C15H16F3N3OS — CID 71808026

IUPAC2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESCCSc1ccccc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3OS/c1-2-23-12-6-4-3-5-11(12)14(22)19-8-10-21-9-7-13(20-21)15(16,17)18/h3-7,9H,2,8,10H2,1H3,(H,19,22)
InChIKeyKVWXYDIPDYVYHN-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.44
Rot. Bonds6

About 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (PubChem CID 71808026) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
PubChem CID71808026
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESCCSc1ccccc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3OS/c1-2-23-12-6-4-3-5-11(12)14(22)19-8-10-21-9-7-13(20-21)15(16,17)18/h3-7,9H,2,8,10H2,1H3,(H,19,22)
InChIKeyKVWXYDIPDYVYHN-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2814851
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CID 10246779
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
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N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
S-[6-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]hexyl] ethanethioate
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N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
[3-(2-thienyl)-1H-pyrazol-1-yl][4-(trifluoromethyl)phenyl]methanone
CID 2814853
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorobenzamide
CID 708832
5-(4-fluorophenyl)-1-methyl-N-(6-sulfanylhexyl)pyrazole-3-carboxamide
CID 127026740
1-ethyl-3-(4-fluorophenyl)-N-(6-sulfanylhexyl)pyrazole-5-carboxamide
CID 127027393
3-(4-fluorophenyl)-1-methyl-N-(6-sulfanylhexyl)pyrazole-5-carboxamide
CID 127028631
N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide
CID 24979449

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (CID 71808026) is 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is CCSc1ccccc1C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The InChIKey is KVWXYDIPDYVYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-2-23-12-6-4-3-5-11(12)14(22)19-8-10-21-9-7-13(20-21)15(16,17)18/h3-7,9H,2,8,10H2,1H3,(H,19,22).
What are the key properties of 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide has a molecular weight of 343.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 71808026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).