1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone

C20H17Cl2N3O — CID 172766398

IUPAC1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone
SMILESO=C(Cc1ccccc1-n1cc2c(n1)CNCC2)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H17Cl2N3O/c21-16-6-3-5-15(20(16)22)19(26)10-13-4-1-2-7-18(13)25-12-14-8-9-23-11-17(14)24-25/h1-7,12,23H,8-11H2
InChIKeyMJFJPFACRFYXGO-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.25
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone

1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone (PubChem CID 172766398) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone
PubChem CID172766398
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone
SMILESO=C(Cc1ccccc1-n1cc2c(n1)CNCC2)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H17Cl2N3O/c21-16-6-3-5-15(20(16)22)19(26)10-13-4-1-2-7-18(13)25-12-14-8-9-23-11-17(14)24-25/h1-7,12,23H,8-11H2
InChIKeyMJFJPFACRFYXGO-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone (CID 172766398) is 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone is O=C(Cc1ccccc1-n1cc2c(n1)CNCC2)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone?
The InChIKey is MJFJPFACRFYXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-16-6-3-5-15(20(16)22)19(26)10-13-4-1-2-7-18(13)25-12-14-8-9-23-11-17(14)24-25/h1-7,12,23H,8-11H2.
What are the key properties of 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone?
1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone has a molecular weight of 386.28 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone is sourced from PubChem (CID 172766398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).