4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine

C16H16ClN5 — CID 86717337

IUPAC4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
SMILESCn1nc(N2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C16H16ClN5/c1-21-15-12(16(20-21)22-9-5-6-10-22)13(17)14(18-19-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyHTAKCOBUPMGIEN-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.28
Rot. Bonds2

About 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine

4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine (PubChem CID 86717337) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
PubChem CID86717337
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
SMILESCn1nc(N2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C16H16ClN5/c1-21-15-12(16(20-21)22-9-5-6-10-22)13(17)14(18-19-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyHTAKCOBUPMGIEN-UHFFFAOYSA-N
XLogP3.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
CID 74220734
4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-piperazin-1-ylpyrazolo[3,4-c]pyridazine
CID 90131814
4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
CID 66576806
4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 66576808
4-chloro-3-(4-iodo-3-methylphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine
CID 135258139
4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide
CID 66576890
4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine
CID 86717277
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N,N-dimethylethanamine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-pyrrolidin-1-ylethanone;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine
CID 162012210
4-chloro-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine
CID 126487838
4-chloro-3,5-diphenyl-1-propylpyrazolo[3,4-c]pyridazine;ethane
CID 144617112
4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;tris(4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine);1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
CID 162245924
4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine
CID 168745591

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine (CID 86717337) is 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine is Cn1nc(N2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21.
What is the InChIKey of 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine?
The InChIKey is HTAKCOBUPMGIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-21-15-12(16(20-21)22-9-5-6-10-22)13(17)14(18-19-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine?
4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine has a molecular weight of 313.79 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 86717337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).