N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide

C15H10F3N3OS — CID 2809248

IUPACN-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccs1
InChIInChI=1S/C15H10F3N3OS/c16-15(17,18)13-7-8-21(20-13)11-5-3-10(4-6-11)19-14(22)12-2-1-9-23-12/h1-9H,(H,19,22)
InChIKeyCKJSACBFTWOUNV-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.20
Rot. Bonds3

About N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide

N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 2809248) has the molecular formula C15H10F3N3OS and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID2809248
Molecular FormulaC15H10F3N3OS
Molecular Weight337.33 g/mol
Exact Mass337.05
IUPAC NameN-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccs1
InChIInChI=1S/C15H10F3N3OS/c16-15(17,18)13-7-8-21(20-13)11-5-3-10(4-6-11)19-14(22)12-2-1-9-23-12/h1-9H,(H,19,22)
InChIKeyCKJSACBFTWOUNV-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
Pyrazole scaffold, 7g
CID 25218482
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
N-hydroxy-5-(1-(2-oxo-2-(phenylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 10246764
5-(1-(2-(3,5-difluorophenylamino)-2-oxoethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 44418178
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
[3-(2-thienyl)-1H-pyrazol-1-yl][4-(trifluoromethyl)phenyl]methanone
CID 2814853
N'-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 9583897
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
CID 3801312

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide (CID 2809248) is N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccs1.
What is the InChIKey of N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is CKJSACBFTWOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3OS/c16-15(17,18)13-7-8-21(20-13)11-5-3-10(4-6-11)19-14(22)12-2-1-9-23-12/h1-9H,(H,19,22).
What are the key properties of N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide?
N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2809248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).