4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine

C16H16N4S — CID 131940360

IUPAC4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
SMILESc1cc(C2CN(Cc3ccc(-c4ccn[nH]4)s3)C2)ccn1
InChIInChI=1S/C16H16N4S/c1-2-16(15-5-8-18-19-15)21-14(1)11-20-9-13(10-20)12-3-6-17-7-4-12/h1-8,13H,9-11H2,(H,18,19)
InChIKeyLQQSVIBFZRXVGH-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.13
Rot. Bonds4

About 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine

4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine (PubChem CID 131940360) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
PubChem CID131940360
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
SMILESc1cc(C2CN(Cc3ccc(-c4ccn[nH]4)s3)C2)ccn1
InChIInChI=1S/C16H16N4S/c1-2-16(15-5-8-18-19-15)21-14(1)11-20-9-13(10-20)12-3-6-17-7-4-12/h1-8,13H,9-11H2,(H,18,19)
InChIKeyLQQSVIBFZRXVGH-UHFFFAOYSA-N
XLogP3.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine?
The IUPAC name of 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine (CID 131940360) is 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine.
What is the SMILES notation for 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine?
The canonical SMILES for 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine is c1cc(C2CN(Cc3ccc(-c4ccn[nH]4)s3)C2)ccn1.
What is the InChIKey of 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine?
The InChIKey is LQQSVIBFZRXVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-16(15-5-8-18-19-15)21-14(1)11-20-9-13(10-20)12-3-6-17-7-4-12/h1-8,13H,9-11H2,(H,18,19).
What are the key properties of 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine?
4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine has a molecular weight of 296.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine is sourced from PubChem (CID 131940360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).