4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine

C17H15ClN4 — CID 74220734

IUPAC4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
SMILESCn1nc(-c2ccccc2)c2c(Cl)c(C3=CCCC3)nnc21
InChIInChI=1S/C17H15ClN4/c1-22-17-13(15(21-22)11-7-3-2-4-8-11)14(18)16(19-20-17)12-9-5-6-10-12/h2-4,7-9H,5-6,10H2,1H3
InChIKeyYDXLQWZCOAXEKE-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.25
Rot. Bonds2

About 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine

4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 74220734) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
PubChem CID74220734
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
SMILESCn1nc(-c2ccccc2)c2c(Cl)c(C3=CCCC3)nnc21
InChIInChI=1S/C17H15ClN4/c1-22-17-13(15(21-22)11-7-3-2-4-8-11)14(18)16(19-20-17)12-9-5-6-10-12/h2-4,7-9H,5-6,10H2,1H3
InChIKeyYDXLQWZCOAXEKE-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine (CID 74220734) is 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine is Cn1nc(-c2ccccc2)c2c(Cl)c(C3=CCCC3)nnc21.
What is the InChIKey of 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?
The InChIKey is YDXLQWZCOAXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-22-17-13(15(21-22)11-7-3-2-4-8-11)14(18)16(19-20-17)12-9-5-6-10-12/h2-4,7-9H,5-6,10H2,1H3.
What are the key properties of 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine?
4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 310.79 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 74220734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).