4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one

C11H8N4O — CID 66987583

IUPAC4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccn[nH]2)c2ccccc2[nH]1
InChIInChI=1S/C11H8N4O/c16-11-13-8-4-2-1-3-7(8)10(14-11)9-5-6-12-15-9/h1-6H,(H,12,15)(H,13,14,16)
InChIKeyXFUFNQNDGPOHMK-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one

4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one (PubChem CID 66987583) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one
PubChem CID66987583
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccn[nH]2)c2ccccc2[nH]1
InChIInChI=1S/C11H8N4O/c16-11-13-8-4-2-1-3-7(8)10(14-11)9-5-6-12-15-9/h1-6H,(H,12,15)(H,13,14,16)
InChIKeyXFUFNQNDGPOHMK-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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Related Compounds

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3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
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3-1H-indazol-4-yl-1-[(1R)-1-(4-methylphenyl)ethyl]urea
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1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trifluoro-phenyl)-urea
CID 9954688
1-cycloheptyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
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1-cyclohexyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10573963
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1-cycloheptyl-1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10717534
1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trimethyl-phenyl)-urea
CID 10812268
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CID 11797457
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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one?
The IUPAC name of 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one (CID 66987583) is 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one?
The canonical SMILES for 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one is O=c1nc(-c2ccn[nH]2)c2ccccc2[nH]1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one?
The InChIKey is XFUFNQNDGPOHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-13-8-4-2-1-3-7(8)10(14-11)9-5-6-12-15-9/h1-6H,(H,12,15)(H,13,14,16).
What are the key properties of 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one?
4-(1H-pyrazol-5-yl)-1H-quinazolin-2-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 4-(1H-pyrazol-5-yl)-1H-quinazolin-2-one is sourced from PubChem (CID 66987583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).