6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C22H22ClN3 — CID 146953179

IUPAC6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESC=C(c1cccc(Cl)c1C)N1CCc2c(-c3ccc(C)cc3)n[nH]c2C1
InChIInChI=1S/C22H22ClN3/c1-14-7-9-17(10-8-14)22-19-11-12-26(13-21(19)24-25-22)16(3)18-5-4-6-20(23)15(18)2/h4-10H,3,11-13H2,1-2H3,(H,24,25)
InChIKeyAJCWKINUWSPVBI-UHFFFAOYSA-N
MW363.89 g/mol
LogP5.38
Rot. Bonds3

About 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 146953179) has the molecular formula C22H22ClN3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID146953179
Molecular FormulaC22H22ClN3
Molecular Weight363.89 g/mol
Exact Mass363.15
IUPAC Name6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESC=C(c1cccc(Cl)c1C)N1CCc2c(-c3ccc(C)cc3)n[nH]c2C1
InChIInChI=1S/C22H22ClN3/c1-14-7-9-17(10-8-14)22-19-11-12-26(13-21(19)24-25-22)16(3)18-5-4-6-20(23)15(18)2/h4-10H,3,11-13H2,1-2H3,(H,24,25)
InChIKeyAJCWKINUWSPVBI-UHFFFAOYSA-N
XLogP5.38
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 146953179) is 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is C=C(c1cccc(Cl)c1C)N1CCc2c(-c3ccc(C)cc3)n[nH]c2C1.
What is the InChIKey of 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is AJCWKINUWSPVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3/c1-14-7-9-17(10-8-14)22-19-11-12-26(13-21(19)24-25-22)16(3)18-5-4-6-20(23)15(18)2/h4-10H,3,11-13H2,1-2H3,(H,24,25).
What are the key properties of 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 363.89 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-chloro-2-methylphenyl)ethenyl]-3-(4-methylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 146953179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).