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

C14H10F3N3OS — CID 126729676

IUPAC4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCOc1ccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1
InChIInChI=1S/C14H10F3N3OS/c1-21-13-3-2-11(22-13)8-4-5-18-9(6-8)10-7-12(20-19-10)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyATZSREXFCUMSSG-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.23
Rot. Bonds3

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

4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 126729676) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID126729676
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCOc1ccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1
InChIInChI=1S/C14H10F3N3OS/c1-21-13-3-2-11(22-13)8-4-5-18-9(6-8)10-7-12(20-19-10)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyATZSREXFCUMSSG-UHFFFAOYSA-N
XLogP4.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 126729676) is 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is COc1ccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1.
What is the InChIKey of 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is ATZSREXFCUMSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-21-13-3-2-11(22-13)8-4-5-18-9(6-8)10-7-12(20-19-10)14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 325.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxythiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 126729676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).