4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine

C17H11ClN4 — CID 66576726

IUPAC4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine
SMILESClc1c(-c2ccccc2)nnc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C17H11ClN4/c18-14-13-15(11-7-3-1-4-8-11)19-21-17(13)22-20-16(14)12-9-5-2-6-10-12/h1-10H,(H,19,21,22)
InChIKeyVSLITAXABMHKCI-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.34
Rot. Bonds2

About 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine

4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine (PubChem CID 66576726) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine
PubChem CID66576726
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine
SMILESClc1c(-c2ccccc2)nnc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C17H11ClN4/c18-14-13-15(11-7-3-1-4-8-11)19-21-17(13)22-20-16(14)12-9-5-2-6-10-12/h1-10H,(H,19,21,22)
InChIKeyVSLITAXABMHKCI-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(4-iodophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine
CID 137061803
4,5-bis(4-phenylphenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538872
4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
CID 86717263
6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine
CID 86638762
4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
CID 86717364
5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine
CID 91867873
3,5-dichloro-4-methyl-6-phenylpyridazine
CID 86117027
4-chloro-3-(3-fluorophenyl)-5-phenyl-2H-pyrazolo[3,4-c]pyridazine;ethynylbenzene;N-[5-(3-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-4-(2-phenylethynyl)-1H-pyrazol-3-yl]acetamide;5-(3-fluorophenyl)-1H-pyrazol-3-amine;N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]acetamide
CID 161157421
4-nitroso-3,5-diphenyl-1H-pyrazole
CID 15566459
3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile
CID 10267667
(4-chloro-3-phenyl-1H-pyrazol-5-yl)methanethiol
CID 139479531
4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole
CID 102040642

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine (CID 66576726) is 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine is Clc1c(-c2ccccc2)nnc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine?
The InChIKey is VSLITAXABMHKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-14-13-15(11-7-3-1-4-8-11)19-21-17(13)22-20-16(14)12-9-5-2-6-10-12/h1-10H,(H,19,21,22).
What are the key properties of 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine?
4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine has a molecular weight of 306.76 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-diphenyl-2H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 66576726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).