3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide

C17H19N5O2 — CID 130459662

IUPAC3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
SMILESCCNc1cccc(C(=O)NCc2c(=O)[nH]n3cccnc23)c1C
InChIInChI=1S/C17H19N5O2/c1-3-18-14-7-4-6-12(11(14)2)16(23)20-10-13-15-19-8-5-9-22(15)21-17(13)24/h4-9,18H,3,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPWBIBUDPMKSSCX-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.69
Rot. Bonds5

About 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide

3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide (PubChem CID 130459662) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
PubChem CID130459662
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
SMILESCCNc1cccc(C(=O)NCc2c(=O)[nH]n3cccnc23)c1C
InChIInChI=1S/C17H19N5O2/c1-3-18-14-7-4-6-12(11(14)2)16(23)20-10-13-15-19-8-5-9-22(15)21-17(13)24/h4-9,18H,3,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPWBIBUDPMKSSCX-UHFFFAOYSA-N
XLogP1.69
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 144778475
3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide
CID 130459659
3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 130459810
3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
CID 130459526
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
CID 144778418
N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 167844314
3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 75472679
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 46277358
N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66411550
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide (CID 130459662) is 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide is CCNc1cccc(C(=O)NCc2c(=O)[nH]n3cccnc23)c1C.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide?
The InChIKey is PWBIBUDPMKSSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-18-14-7-4-6-12(11(14)2)16(23)20-10-13-15-19-8-5-9-22(15)21-17(13)24/h4-9,18H,3,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide?
3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide is sourced from PubChem (CID 130459662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).