1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone

C17H15N5O — CID 59785146

IUPAC1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ncc3c(n2)-c2ccccc2CC3)nc1N
InChIInChI=1S/C17H15N5O/c1-10(23)14-9-22(21-16(14)18)17-19-8-12-7-6-11-4-2-3-5-13(11)15(12)20-17/h2-5,8-9H,6-7H2,1H3,(H2,18,21)
InChIKeyUYYLTWKVRSGUDR-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.21
Rot. Bonds2

About 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone

1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone (PubChem CID 59785146) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone
PubChem CID59785146
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ncc3c(n2)-c2ccccc2CC3)nc1N
InChIInChI=1S/C17H15N5O/c1-10(23)14-9-22(21-16(14)18)17-19-8-12-7-6-11-4-2-3-5-13(11)15(12)20-17/h2-5,8-9H,6-7H2,1H3,(H2,18,21)
InChIKeyUYYLTWKVRSGUDR-UHFFFAOYSA-N
XLogP2.21
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone (CID 59785146) is 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone is CC(=O)c1cn(-c2ncc3c(n2)-c2ccccc2CC3)nc1N.
What is the InChIKey of 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone?
The InChIKey is UYYLTWKVRSGUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10(23)14-9-22(21-16(14)18)17-19-8-12-7-6-11-4-2-3-5-13(11)15(12)20-17/h2-5,8-9H,6-7H2,1H3,(H2,18,21).
What are the key properties of 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone?
1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone has a molecular weight of 305.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 59785146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).