(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C19H15Cl2N3O — CID 108750013

IUPAC(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChIInChI=1S/C19H15Cl2N3O/c20-14-5-1-3-12(9-14)18-16-11-24(8-7-17(16)22-23-18)19(25)13-4-2-6-15(21)10-13/h1-6,9-10H,7-8,11H2,(H,22,23)
InChIKeySEWZLCDWAZWEDR-UHFFFAOYSA-N
MW372.25 g/mol
LogP4.58
Rot. Bonds2

About (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 108750013) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.25 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID108750013
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.25 g/mol
Exact Mass371.06
IUPAC Name(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChIInChI=1S/C19H15Cl2N3O/c20-14-5-1-3-12(9-14)18-16-11-24(8-7-17(16)22-23-18)19(25)13-4-2-6-15(21)10-13/h1-6,9-10H,7-8,11H2,(H,22,23)
InChIKeySEWZLCDWAZWEDR-UHFFFAOYSA-N
XLogP4.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 108750013) is (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C(c1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1.
What is the InChIKey of (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is SEWZLCDWAZWEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-14-5-1-3-12(9-14)18-16-11-24(8-7-17(16)22-23-18)19(25)13-4-2-6-15(21)10-13/h1-6,9-10H,7-8,11H2,(H,22,23).
What are the key properties of (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 372.25 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 108750013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).