2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine

C17H17Cl2N5 — CID 56676642

IUPAC2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3Cl)c(C)c12
InChIInChI=1S/C17H17Cl2N5/c1-10-15-11(2)24(14-6-5-12(18)9-13(14)19)22-16(15)17(21-20-10)23-7-3-4-8-23/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyINGBKPUFSDYYRV-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.34
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine

2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine (PubChem CID 56676642) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine
PubChem CID56676642
Molecular FormulaC17H17Cl2N5
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3Cl)c(C)c12
InChIInChI=1S/C17H17Cl2N5/c1-10-15-11(2)24(14-6-5-12(18)9-13(14)19)22-16(15)17(21-20-10)23-7-3-4-8-23/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyINGBKPUFSDYYRV-UHFFFAOYSA-N
XLogP4.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine (CID 56676642) is 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine is Cc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3Cl)c(C)c12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine?
The InChIKey is INGBKPUFSDYYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c1-10-15-11(2)24(14-6-5-12(18)9-13(14)19)22-16(15)17(21-20-10)23-7-3-4-8-23/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine?
2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine has a molecular weight of 362.26 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3,4-dimethyl-7-pyrrolidin-1-ylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 56676642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).