5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole

C18H20ClN5S — CID 56750666

IUPAC5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C18H20ClN5S/c1-11(2)17-16(25-23-22-17)10-24-8-7-15-14(9-24)18(21-20-15)12-3-5-13(19)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,20,21)
InChIKeyYKBZCGSURVENRD-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.26
Rot. Bonds4

About 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole

5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole (PubChem CID 56750666) has the molecular formula C18H20ClN5S and a molecular weight of 373.91 g/mol. Its IUPAC name is 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole.

Molecular Properties

Compound Name5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole
PubChem CID56750666
Molecular FormulaC18H20ClN5S
Molecular Weight373.91 g/mol
Exact Mass373.11
IUPAC Name5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C18H20ClN5S/c1-11(2)17-16(25-23-22-17)10-24-8-7-15-14(9-24)18(21-20-15)12-3-5-13(19)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,20,21)
InChIKeyYKBZCGSURVENRD-UHFFFAOYSA-N
XLogP4.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole?
The IUPAC name of 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole (CID 56750666) is 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole.
What is the SMILES notation for 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole?
The canonical SMILES for 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole is CC(C)c1nnsc1CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole?
The InChIKey is YKBZCGSURVENRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5S/c1-11(2)17-16(25-23-22-17)10-24-8-7-15-14(9-24)18(21-20-15)12-3-5-13(19)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole?
5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole has a molecular weight of 373.91 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-propan-2-ylthiadiazole is sourced from PubChem (CID 56750666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).