1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole

C12H7F3N2S — CID 11818011

IUPAC1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole
SMILESFC(F)(F)c1ccc(-n2ncc3sccc32)cc1
InChIInChI=1S/C12H7F3N2S/c13-12(14,15)8-1-3-9(4-2-8)17-10-5-6-18-11(10)7-16-17/h1-7H
InChIKeyHPJJUKOZJCTATA-UHFFFAOYSA-N
MW268.26 g/mol
LogP4.11
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole

1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole (PubChem CID 11818011) has the molecular formula C12H7F3N2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole
PubChem CID11818011
Molecular FormulaC12H7F3N2S
Molecular Weight268.26 g/mol
Exact Mass268.03
IUPAC Name1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole
SMILESFC(F)(F)c1ccc(-n2ncc3sccc32)cc1
InChIInChI=1S/C12H7F3N2S/c13-12(14,15)8-1-3-9(4-2-8)17-10-5-6-18-11(10)7-16-17/h1-7H
InChIKeyHPJJUKOZJCTATA-UHFFFAOYSA-N
XLogP4.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylthieno[2,3-d]pyrazole
CID 11229409
1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 75355917
4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254826
thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol
CID 81154217
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
5-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 81254450
N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide
CID 169173148
2-[4-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]oxyacetonitrile
CID 139832557
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516
3-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3925292

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole (CID 11818011) is 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole is FC(F)(F)c1ccc(-n2ncc3sccc32)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole?
The InChIKey is HPJJUKOZJCTATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2S/c13-12(14,15)8-1-3-9(4-2-8)17-10-5-6-18-11(10)7-16-17/h1-7H.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole?
1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole has a molecular weight of 268.26 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrazole is sourced from PubChem (CID 11818011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).