2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one

C15H17N5O — CID 136925309

IUPAC2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one
SMILESCCCc1nn(C)c(N)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H17N5O/c1-3-6-11-12(13(16)20(2)19-11)14-17-10-8-5-4-7-9(10)15(21)18-14/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18,21)
InChIKeyYVDPIYMTECAQLM-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.86
Rot. Bonds3

About 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one

2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one (PubChem CID 136925309) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one
PubChem CID136925309
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one
SMILESCCCc1nn(C)c(N)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H17N5O/c1-3-6-11-12(13(16)20(2)19-11)14-17-10-8-5-4-7-9(10)15(21)18-14/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18,21)
InChIKeyYVDPIYMTECAQLM-UHFFFAOYSA-N
XLogP1.86
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one
CID 136925369
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135421568
2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135400710
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925362
2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925358
2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925384
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 135990818
1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135422892

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one (CID 136925309) is 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one is CCCc1nn(C)c(N)c1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is YVDPIYMTECAQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-6-11-12(13(16)20(2)19-11)14-17-10-8-5-4-7-9(10)15(21)18-14/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18,21).
What are the key properties of 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one?
2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136925309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).