4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C19H19F3N3S- — CID 140780513

IUPAC4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCCCCCCc1ccc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1
InChIInChI=1S/C19H19F3N3S/c1-2-3-4-5-6-14-7-8-17(26-14)13-9-10-23-15(11-13)16-12-18(25-24-16)19(20,21)22/h7-12H,2-6H2,1H3/q-1
InChIKeyMYGCEBIZPACTPU-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.97
Rot. Bonds7

About 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 140780513) has the molecular formula C19H19F3N3S- and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID140780513
Molecular FormulaC19H19F3N3S-
Molecular Weight378.44 g/mol
Exact Mass378.13
IUPAC Name4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCCCCCCc1ccc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1
InChIInChI=1S/C19H19F3N3S/c1-2-3-4-5-6-14-7-8-17(26-14)13-9-10-23-15(11-13)16-12-18(25-24-16)19(20,21)22/h7-12H,2-6H2,1H3/q-1
InChIKeyMYGCEBIZPACTPU-UHFFFAOYSA-N
XLogP5.97
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-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

1-Methyl-4-(2-thiophen-3-yl-pyridin-4-yl)-piperazine
CID 25218146
US10377753, Example 130
CID 124175977
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
1-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46989849
N-[(5-ethylpyridin-2-yl)methyl]-N',N'-dimethyl-N-[(5-methyl-2-thienyl)methyl]ethane-1,2-diamine
CID 46990554
(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
CID 118725538
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-4-ylpiperazine
CID 16190348
US20230339900, Example 118
CID 162760816
US20230339900, Example 145
CID 162760955

Frequently Asked Questions

What is the IUPAC name of 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 140780513) is 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CCCCCCc1ccc(-c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.
What is the InChIKey of 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is MYGCEBIZPACTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N3S/c1-2-3-4-5-6-14-7-8-17(26-14)13-9-10-23-15(11-13)16-12-18(25-24-16)19(20,21)22/h7-12H,2-6H2,1H3/q-1.
What are the key properties of 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 378.44 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 140780513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).