3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline

C11H7Cl2N3 — CID 7131318

IUPAC3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline
SMILESCc1nn2c(nc(Cl)c3ccccc32)c1Cl
InChIInChI=1S/C11H7Cl2N3/c1-6-9(12)11-14-10(13)7-4-2-3-5-8(7)16(11)15-6/h2-5H,1H3
InChIKeyBLKAQFDRUJKGDE-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.50
Rot. Bonds

About 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline

3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline (PubChem CID 7131318) has the molecular formula C11H7Cl2N3 and a molecular weight of 252.10 g/mol. Its IUPAC name is 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline
PubChem CID7131318
Molecular FormulaC11H7Cl2N3
Molecular Weight252.10 g/mol
Exact Mass251.00
IUPAC Name3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline
SMILESCc1nn2c(nc(Cl)c3ccccc32)c1Cl
InChIInChI=1S/C11H7Cl2N3/c1-6-9(12)11-14-10(13)7-4-2-3-5-8(7)16(11)15-6/h2-5H,1H3
InChIKeyBLKAQFDRUJKGDE-UHFFFAOYSA-N
XLogP3.50
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline?
The IUPAC name of 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline (CID 7131318) is 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline?
The canonical SMILES for 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline is Cc1nn2c(nc(Cl)c3ccccc32)c1Cl.
What is the InChIKey of 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline?
The InChIKey is BLKAQFDRUJKGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3/c1-6-9(12)11-14-10(13)7-4-2-3-5-8(7)16(11)15-6/h2-5H,1H3.
What are the key properties of 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline?
3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline has a molecular weight of 252.10 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methylpyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 7131318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).