5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one

C13H13N5O — CID 141277465

IUPAC5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one
SMILESCN(C)c1cccc2nc(-n3cccn3)[nH]c(=O)c12
InChIInChI=1S/C13H13N5O/c1-17(2)10-6-3-5-9-11(10)12(19)16-13(15-9)18-8-4-7-14-18/h3-8H,1-2H3,(H,15,16,19)
InChIKeyTUATXPGHFAXJNX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.17
Rot. Bonds2

About 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one

5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one (PubChem CID 141277465) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one
PubChem CID141277465
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one
SMILESCN(C)c1cccc2nc(-n3cccn3)[nH]c(=O)c12
InChIInChI=1S/C13H13N5O/c1-17(2)10-6-3-5-9-11(10)12(19)16-13(15-9)18-8-4-7-14-18/h3-8H,1-2H3,(H,15,16,19)
InChIKeyTUATXPGHFAXJNX-UHFFFAOYSA-N
XLogP1.17
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrazol-1-yl-1H-benzimidazole
CID 639420
8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136633330
7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136641811
6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277498
5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
CID 66937003
6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
CID 141252349
4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one
CID 136599885
2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 141252366
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one
CID 135782154
butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid
CID 67460127

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one?
The IUPAC name of 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one (CID 141277465) is 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one is CN(C)c1cccc2nc(-n3cccn3)[nH]c(=O)c12.
What is the InChIKey of 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one?
The InChIKey is TUATXPGHFAXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-17(2)10-6-3-5-9-11(10)12(19)16-13(15-9)18-8-4-7-14-18/h3-8H,1-2H3,(H,15,16,19).
What are the key properties of 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one?
5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one has a molecular weight of 255.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 141277465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).