8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline

C17H13Cl2N3 — CID 139267152

IUPAC8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline
SMILESCC1(c2ccc(Cl)cc2)Nc2cc(Cl)ccc2-c2ccnn21
InChIInChI=1S/C17H13Cl2N3/c1-17(11-2-4-12(18)5-3-11)21-15-10-13(19)6-7-14(15)16-8-9-20-22(16)17/h2-10,21H,1H3
InChIKeyVJNUIIZKUJRIDR-UHFFFAOYSA-N
MW330.22 g/mol
LogP5.00
Rot. Bonds1

About 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline

8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline (PubChem CID 139267152) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline
PubChem CID139267152
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC Name8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline
SMILESCC1(c2ccc(Cl)cc2)Nc2cc(Cl)ccc2-c2ccnn21
InChIInChI=1S/C17H13Cl2N3/c1-17(11-2-4-12(18)5-3-11)21-15-10-13(19)6-7-14(15)16-8-9-20-22(16)17/h2-10,21H,1H3
InChIKeyVJNUIIZKUJRIDR-UHFFFAOYSA-N
XLogP5.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.22
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline?
The IUPAC name of 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline (CID 139267152) is 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline is CC1(c2ccc(Cl)cc2)Nc2cc(Cl)ccc2-c2ccnn21.
What is the InChIKey of 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline?
The InChIKey is VJNUIIZKUJRIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c1-17(11-2-4-12(18)5-3-11)21-15-10-13(19)6-7-14(15)16-8-9-20-22(16)17/h2-10,21H,1H3.
What are the key properties of 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline?
8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline has a molecular weight of 330.22 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(4-chlorophenyl)-5-methyl-6H-pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 139267152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).