5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C21H22F3N3S — CID 145155842

IUPAC5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCC(=Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)[nH]n3)nc2)s1)CCC
InChIInChI=1S/C21H22F3N3S/c1-3-5-14(6-4-2)11-16-8-10-19(28-16)15-7-9-17(25-13-15)18-12-20(27-26-18)21(22,23)24/h7-13H,3-6H2,1-2H3,(H,26,27)
InChIKeyRNWBDZZKQBZULH-UHFFFAOYSA-N
MW405.49 g/mol
LogP7.20
Rot. Bonds7

About 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 145155842) has the molecular formula C21H22F3N3S and a molecular weight of 405.49 g/mol. Its IUPAC name is 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID145155842
Molecular FormulaC21H22F3N3S
Molecular Weight405.49 g/mol
Exact Mass405.15
IUPAC Name5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCC(=Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)[nH]n3)nc2)s1)CCC
InChIInChI=1S/C21H22F3N3S/c1-3-5-14(6-4-2)11-16-8-10-19(28-16)15-7-9-17(25-13-15)18-12-20(27-26-18)21(22,23)24/h7-13H,3-6H2,1-2H3,(H,26,27)
InChIKeyRNWBDZZKQBZULH-UHFFFAOYSA-N
XLogP7.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 145155854
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 70808059
3-(4-propoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142669971
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 142636961
4-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 126729598
2-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]-5-(5-methylthiophen-2-yl)pyridine
CID 145155938
ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 145155800
N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
CID 126729548
5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 145155901
4-(6-methylthieno[2,3-f][1]benzothiol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 126729596

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 145155842) is 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CCCC(=Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)[nH]n3)nc2)s1)CCC.
What is the InChIKey of 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is RNWBDZZKQBZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3S/c1-3-5-14(6-4-2)11-16-8-10-19(28-16)15-7-9-17(25-13-15)18-12-20(27-26-18)21(22,23)24/h7-13H,3-6H2,1-2H3,(H,26,27).
What are the key properties of 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 405.49 g/mol, XLogP of 7.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-propylpent-1-enyl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 145155842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).