5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C19H20F3N3S — CID 145155800

IUPAC5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCc1ccc(-c2ccc(-c3n[nH]c(C(F)(F)F)c3CC)nc2)s1
InChIInChI=1S/C19H20F3N3S/c1-3-5-6-13-8-10-16(26-13)12-7-9-15(23-11-12)17-14(4-2)18(25-24-17)19(20,21)22/h7-11H,3-6H2,1-2H3,(H,24,25)
InChIKeyRMPIXZGSROBIMX-UHFFFAOYSA-N
MW379.45 g/mol
LogP6.12
Rot. Bonds6

About 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 145155800) has the molecular formula C19H20F3N3S and a molecular weight of 379.45 g/mol. Its IUPAC name is 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID145155800
Molecular FormulaC19H20F3N3S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCc1ccc(-c2ccc(-c3n[nH]c(C(F)(F)F)c3CC)nc2)s1
InChIInChI=1S/C19H20F3N3S/c1-3-5-6-13-8-10-16(26-13)12-7-9-15(23-11-12)17-14(4-2)18(25-24-17)19(20,21)22/h7-11H,3-6H2,1-2H3,(H,24,25)
InChIKeyRMPIXZGSROBIMX-UHFFFAOYSA-N
XLogP6.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142637004
2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-(5-butylthiophen-2-yl)-2-[4-ethyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 145155799
4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 70808059
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine
CID 145155858
5-(5-butylthiophen-2-yl)-2H-tetrazole
CID 57101676
5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 145155854
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-pentyl-5-(trifluoromethyl)thiophene
CID 143267896
(Z)-1-[5-(5-butylthiophen-2-yl)-2-pyridinyl]-3-imino-3-(2,3,4,5,6-pentafluorophenyl)prop-1-en-1-amine
CID 145155864
2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine
CID 66714075
2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 145155775

Frequently Asked Questions

What is the IUPAC name of 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 145155800) is 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CCCCc1ccc(-c2ccc(-c3n[nH]c(C(F)(F)F)c3CC)nc2)s1.
What is the InChIKey of 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is RMPIXZGSROBIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3S/c1-3-5-6-13-8-10-16(26-13)12-7-9-15(23-11-12)17-14(4-2)18(25-24-17)19(20,21)22/h7-11H,3-6H2,1-2H3,(H,24,25).
What are the key properties of 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 379.45 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 145155800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).