3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C14H15ClN2S — CID 123588089

IUPAC3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCSc1ccc(-c2cnn3c2CCCC3)cc1Cl
InChIInChI=1S/C14H15ClN2S/c1-18-14-6-5-10(8-12(14)15)11-9-16-17-7-3-2-4-13(11)17/h5-6,8-9H,2-4,7H2,1H3
InChIKeyMHVNQIKQXMAWAO-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.26
Rot. Bonds2

About 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 123588089) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID123588089
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCSc1ccc(-c2cnn3c2CCCC3)cc1Cl
InChIInChI=1S/C14H15ClN2S/c1-18-14-6-5-10(8-12(14)15)11-9-16-17-7-3-2-4-13(11)17/h5-6,8-9H,2-4,7H2,1H3
InChIKeyMHVNQIKQXMAWAO-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 123588089) is 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CSc1ccc(-c2cnn3c2CCCC3)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is MHVNQIKQXMAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-18-14-6-5-10(8-12(14)15)11-9-16-17-7-3-2-4-13(11)17/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 278.81 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 123588089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).