3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C14H9N5O2 — CID 135925379

IUPAC3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cnn2c1[nH]c(=O)c1ccccc12)n1ccnc1
InChIInChI=1S/C14H9N5O2/c20-13-9-3-1-2-4-11(9)19-12(17-13)10(7-16-19)14(21)18-6-5-15-8-18/h1-8H,(H,17,20)
InChIKeySHIPSYBBDQTHQR-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.06
Rot. Bonds1

About 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135925379) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135925379
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cnn2c1[nH]c(=O)c1ccccc12)n1ccnc1
InChIInChI=1S/C14H9N5O2/c20-13-9-3-1-2-4-11(9)19-12(17-13)10(7-16-19)14(21)18-6-5-15-8-18/h1-8H,(H,17,20)
InChIKeySHIPSYBBDQTHQR-UHFFFAOYSA-N
XLogP1.06
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135925379) is 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is O=C(c1cnn2c1[nH]c(=O)c1ccccc12)n1ccnc1.
What is the InChIKey of 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is SHIPSYBBDQTHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-13-9-3-1-2-4-11(9)19-12(17-13)10(7-16-19)14(21)18-6-5-15-8-18/h1-8H,(H,17,20).
What are the key properties of 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 279.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135925379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).