3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

C17H15N5O — CID 42896246

IUPAC3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCN1C(=O)c2ccccc2NC1c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C17H15N5O/c1-22-16(20-14-7-3-2-6-12(14)17(22)23)13-10-19-21-15(13)11-5-4-8-18-9-11/h2-10,16,20H,1H3,(H,19,21)
InChIKeyMAAPYIHOOAKREP-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.67
Rot. Bonds2

About 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 42896246) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID42896246
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCN1C(=O)c2ccccc2NC1c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C17H15N5O/c1-22-16(20-14-7-3-2-6-12(14)17(22)23)13-10-19-21-15(13)11-5-4-8-18-9-11/h2-10,16,20H,1H3,(H,19,21)
InChIKeyMAAPYIHOOAKREP-UHFFFAOYSA-N
XLogP2.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 42896246) is 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one is CN1C(=O)c2ccccc2NC1c1cn[nH]c1-c1cccnc1.
What is the InChIKey of 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is MAAPYIHOOAKREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-22-16(20-14-7-3-2-6-12(14)17(22)23)13-10-19-21-15(13)11-5-4-8-18-9-11/h2-10,16,20H,1H3,(H,19,21).
What are the key properties of 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 305.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 42896246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).