4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine

C16H16ClN3S — CID 123388846

IUPAC4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine
SMILESCC(C)Cn1cc(-c2ccncc2)c(-c2ccc(Cl)s2)n1
InChIInChI=1S/C16H16ClN3S/c1-11(2)9-20-10-13(12-5-7-18-8-6-12)16(19-20)14-3-4-15(17)21-14/h3-8,10-11H,9H2,1-2H3
InChIKeyFDWQUFPTOKRLFS-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.98
Rot. Bonds4

About 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine

4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine (PubChem CID 123388846) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine
PubChem CID123388846
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine
SMILESCC(C)Cn1cc(-c2ccncc2)c(-c2ccc(Cl)s2)n1
InChIInChI=1S/C16H16ClN3S/c1-11(2)9-20-10-13(12-5-7-18-8-6-12)16(19-20)14-3-4-15(17)21-14/h3-8,10-11H,9H2,1-2H3
InChIKeyFDWQUFPTOKRLFS-UHFFFAOYSA-N
XLogP4.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine (CID 123388846) is 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine is CC(C)Cn1cc(-c2ccncc2)c(-c2ccc(Cl)s2)n1.
What is the InChIKey of 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine?
The InChIKey is FDWQUFPTOKRLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-11(2)9-20-10-13(12-5-7-18-8-6-12)16(19-20)14-3-4-15(17)21-14/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine?
4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine has a molecular weight of 317.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 123388846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).