4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride

C13H9ClF3N3S — CID 67262022

IUPAC4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C13H8F3N3S.ClH/c14-13(15,16)11-2-1-10(20-11)12-9(7-18-19-12)8-3-5-17-6-4-8;/h1-7H,(H,18,19);1H
InChIKeyNXTJCHDIPCBNFG-UHFFFAOYSA-N
MW331.75 g/mol
LogP4.64
Rot. Bonds2

About 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride

4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride (PubChem CID 67262022) has the molecular formula C13H9ClF3N3S and a molecular weight of 331.75 g/mol. Its IUPAC name is 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride
PubChem CID67262022
Molecular FormulaC13H9ClF3N3S
Molecular Weight331.75 g/mol
Exact Mass331.02
IUPAC Name4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C13H8F3N3S.ClH/c14-13(15,16)11-2-1-10(20-11)12-9(7-18-19-12)8-3-5-17-6-4-8;/h1-7H,(H,18,19);1H
InChIKeyNXTJCHDIPCBNFG-UHFFFAOYSA-N
XLogP4.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride?
The IUPAC name of 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride (CID 67262022) is 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride.
What is the SMILES notation for 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride?
The canonical SMILES for 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride is Cl.FC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)s1.
What is the InChIKey of 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride?
The InChIKey is NXTJCHDIPCBNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3S.ClH/c14-13(15,16)11-2-1-10(20-11)12-9(7-18-19-12)8-3-5-17-6-4-8;/h1-7H,(H,18,19);1H.
What are the key properties of 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride?
4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride has a molecular weight of 331.75 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine;hydrochloride is sourced from PubChem (CID 67262022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).