2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one

C13H12N4O — CID 135472230

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one
SMILESCc1cc(C)n(-c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C13H12N4O/c1-8-7-9(2)17(16-8)13-14-11-6-4-3-5-10(11)12(18)15-13/h3-7H,1-2H3,(H,14,15,18)
InChIKeyBPUGGJBTONTZGE-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.73
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one

2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one (PubChem CID 135472230) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one
PubChem CID135472230
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one
SMILESCc1cc(C)n(-c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C13H12N4O/c1-8-7-9(2)17(16-8)13-14-11-6-4-3-5-10(11)12(18)15-13/h3-7H,1-2H3,(H,14,15,18)
InChIKeyBPUGGJBTONTZGE-UHFFFAOYSA-N
XLogP1.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one (CID 135472230) is 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one is Cc1cc(C)n(-c2nc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one?
The InChIKey is BPUGGJBTONTZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-7-9(2)17(16-8)13-14-11-6-4-3-5-10(11)12(18)15-13/h3-7H,1-2H3,(H,14,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one?
2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135472230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).