4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C18H9F6N5S-2 — CID 140780491

IUPAC4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1ccc(-c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1
InChIInChI=1S/C18H9F6N5S/c1-8-2-3-14(30-8)9-4-10(12-6-15(28-26-12)17(19,20)21)25-11(5-9)13-7-16(29-27-13)18(22,23)24/h2-7H,1H3/q-2
InChIKeyPKCKPFHJRMNLRU-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.19
Rot. Bonds3

About 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 140780491) has the molecular formula C18H9F6N5S-2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID140780491
Molecular FormulaC18H9F6N5S-2
Molecular Weight441.36 g/mol
Exact Mass441.05
IUPAC Name4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1ccc(-c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1
InChIInChI=1S/C18H9F6N5S/c1-8-2-3-14(30-8)9-4-10(12-6-15(28-26-12)17(19,20)21)25-11(5-9)13-7-16(29-27-13)18(22,23)24/h2-7H,1H3/q-2
InChIKeyPKCKPFHJRMNLRU-UHFFFAOYSA-N
XLogP5.19
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745
5-Methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 135065112
7,8-Dipropyl-11-(trifluoromethyl)-3-thia-9,10-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
CID 139093193
7,8-Dipropyl-11-(trifluoromethyl)-3-thia-9,10-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
CID 139093194
2-[5-(2,5-Dimethylthiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine
CID 56598258
2-[6-[2-(Trifluoromethyl)phenyl]pyridin-2-yl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]pyridin-2-yl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole
CID 57668936
2-[6-[3-(Trifluoromethyl)phenyl]pyridin-2-yl]-5-[5-[5-[6-[3-(trifluoromethyl)phenyl]pyridin-2-yl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole
CID 57668938
2-[6-[4-(Trifluoromethyl)phenyl]pyridin-2-yl]-5-[5-[5-[6-[4-(trifluoromethyl)phenyl]pyridin-2-yl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole
CID 57669006
1-Phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 59632071
4-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]-2-thiophen-2-ylquinoline
CID 70180044
4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 70808059
2-[6-(2-Methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole
CID 71047301

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 140780491) is 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1ccc(-c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is PKCKPFHJRMNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F6N5S/c1-8-2-3-14(30-8)9-4-10(12-6-15(28-26-12)17(19,20)21)25-11(5-9)13-7-16(29-27-13)18(22,23)24/h2-7H,1H3/q-2.
What are the key properties of 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 441.36 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 140780491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).