1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one

C17H19N5O2 — CID 167777280

IUPAC1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one
SMILESCCn1ncc(C(=O)N2CC3(C2)NC(=O)c2ccccc2N3)c1C
InChIInChI=1S/C17H19N5O2/c1-3-22-11(2)13(8-18-22)16(24)21-9-17(10-21)19-14-7-5-4-6-12(14)15(23)20-17/h4-8,19H,3,9-10H2,1-2H3,(H,20,23)
InChIKeyOROAFDXGYQTFDV-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.22
Rot. Bonds2

About 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one

1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one (PubChem CID 167777280) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one.

Molecular Properties

Compound Name1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one
PubChem CID167777280
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one
SMILESCCn1ncc(C(=O)N2CC3(C2)NC(=O)c2ccccc2N3)c1C
InChIInChI=1S/C17H19N5O2/c1-3-22-11(2)13(8-18-22)16(24)21-9-17(10-21)19-14-7-5-4-6-12(14)15(23)20-17/h4-8,19H,3,9-10H2,1-2H3,(H,20,23)
InChIKeyOROAFDXGYQTFDV-UHFFFAOYSA-N
XLogP1.22
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one?
The IUPAC name of 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one (CID 167777280) is 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one.
What is the SMILES notation for 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one?
The canonical SMILES for 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one is CCn1ncc(C(=O)N2CC3(C2)NC(=O)c2ccccc2N3)c1C.
What is the InChIKey of 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one?
The InChIKey is OROAFDXGYQTFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-22-11(2)13(8-18-22)16(24)21-9-17(10-21)19-14-7-5-4-6-12(14)15(23)20-17/h4-8,19H,3,9-10H2,1-2H3,(H,20,23).
What are the key properties of 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one?
1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one is sourced from PubChem (CID 167777280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).