N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

C17H14F3N3OS — CID 25175811

IUPACN-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCCn1nccc1NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C17H14F3N3OS/c1-2-23-14(8-9-21-23)22-16(24)13-10-12(11-6-4-3-5-7-11)15(25-13)17(18,19)20/h3-10H,2H2,1H3,(H,22,24)
InChIKeyBDWDYSFTCKFBCG-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.90
Rot. Bonds4

About N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 25175811) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID25175811
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC NameN-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCCn1nccc1NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C17H14F3N3OS/c1-2-23-14(8-9-21-23)22-16(24)13-10-12(11-6-4-3-5-7-11)15(25-13)17(18,19)20/h3-10H,2H2,1H3,(H,22,24)
InChIKeyBDWDYSFTCKFBCG-UHFFFAOYSA-N
XLogP4.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24791730
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide
CID 68062166
N-(3-fluoro-2-pyridinyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062187
US11149037, Example 154
CID 142483122
N-(1-{1-[(5-acetyl-3-thienyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793065
N-[4-bromo-1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-2-thiophenecarboxamide
CID 1244282
N-(1-{1-[(5-acetyl-3-thienyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methylbenzamide
CID 24794280
3-(trans-2-((cyclopropyl-methyl)amino)cyclo-propyl)-N-(1-methyl-3-(2-thienyl)-1H-pyrazo1-5-yl)benzamide bis(trifluoroacetate)
CID 118305235
N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide
CID 18152524
N-(1-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18152532
N-(2-(4-oxo-5-(3-(trifluoromethyl)benzyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 40908616

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 25175811) is N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is CCn1nccc1NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is BDWDYSFTCKFBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-2-23-14(8-9-21-23)22-16(24)13-10-12(11-6-4-3-5-7-11)15(25-13)17(18,19)20/h3-10H,2H2,1H3,(H,22,24).
What are the key properties of N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 25175811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).