2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one

C11H12N4O — CID 174756775

IUPAC2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one
SMILESC1=CNNC1.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.C3H6N2/c11-8-9-5-6-3-1-2-4-7(6)10-8;1-2-4-5-3-1/h1-5H,(H,9,10,11);1-2,4-5H,3H2
InChIKeyWUCNUUYESOBGSQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.53
Rot. Bonds

About 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one

2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one (PubChem CID 174756775) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one
PubChem CID174756775
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one
SMILESC1=CNNC1.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.C3H6N2/c11-8-9-5-6-3-1-2-4-7(6)10-8;1-2-4-5-3-1/h1-5H,(H,9,10,11);1-2,4-5H,3H2
InChIKeyWUCNUUYESOBGSQ-UHFFFAOYSA-N
XLogP0.53
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one?
The IUPAC name of 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one (CID 174756775) is 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one.
What is the SMILES notation for 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one?
The canonical SMILES for 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one is C1=CNNC1.O=c1ncc2ccccc2[nH]1.
What is the InChIKey of 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one?
The InChIKey is WUCNUUYESOBGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C3H6N2/c11-8-9-5-6-3-1-2-4-7(6)10-8;1-2-4-5-3-1/h1-5H,(H,9,10,11);1-2,4-5H,3H2.
What are the key properties of 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one?
2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one has a molecular weight of 216.24 g/mol, XLogP of 0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazole;1H-quinazolin-2-one is sourced from PubChem (CID 174756775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).