6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one

C11H8N4O — CID 136598555

IUPAC6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C11H8N4O/c16-11-9-3-7(8-4-14-15-5-8)1-2-10(9)12-6-13-11/h1-6H,(H,14,15)(H,12,13,16)
InChIKeyLPRPZSPJESBBBX-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one

6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one (PubChem CID 136598555) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
PubChem CID136598555
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C11H8N4O/c16-11-9-3-7(8-4-14-15-5-8)1-2-10(9)12-6-13-11/h1-6H,(H,14,15)(H,12,13,16)
InChIKeyLPRPZSPJESBBBX-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one (CID 136598555) is 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is LPRPZSPJESBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-9-3-7(8-4-14-15-5-8)1-2-10(9)12-6-13-11/h1-6H,(H,14,15)(H,12,13,16).
What are the key properties of 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one?
6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 212.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136598555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).