ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)

C14H17N5OW — CID 20756903

IUPACethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)
SMILES[CH2-]C.[CH2-]CNC(=O)c1n[nH]c2c1-c1ncncc1CC2.[W+2]
InChIInChI=1S/C12H12N5O.C2H5.W/c1-2-14-12(18)11-9-8(16-17-11)4-3-7-5-13-6-15-10(7)9;1-2;/h5-6H,1-4H2,(H,14,18)(H,16,17);1H2,2H3;/q2*-1;+2
InChIKeyPGUQFIWWGNBWPU-UHFFFAOYSA-N
MW455.16 g/mol
LogP1.37
Rot. Bonds2

About ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)

ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+) (PubChem CID 20756903) has the molecular formula C14H17N5OW and a molecular weight of 455.16 g/mol. Its IUPAC name is ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+).

Molecular Properties

Compound Nameethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)
PubChem CID20756903
Molecular FormulaC14H17N5OW
Molecular Weight455.16 g/mol
Exact Mass455.09
IUPAC Nameethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)
SMILES[CH2-]C.[CH2-]CNC(=O)c1n[nH]c2c1-c1ncncc1CC2.[W+2]
InChIInChI=1S/C12H12N5O.C2H5.W/c1-2-14-12(18)11-9-8(16-17-11)4-3-7-5-13-6-15-10(7)9;1-2;/h5-6H,1-4H2,(H,14,18)(H,16,17);1H2,2H3;/q2*-1;+2
InChIKeyPGUQFIWWGNBWPU-UHFFFAOYSA-N
XLogP1.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+) with MolForge

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Related Compounds

ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate
CID 131456675
N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide
CID 123836513
N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 91081771
4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline
CID 57459920
N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 142273267
N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 91191686
ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate
CID 175843650
N-(6-methyl-2-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 90731859
N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 91347128
N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 146086697
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide
CID 158879158

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)?
The IUPAC name of ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+) (CID 20756903) is ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+).
What is the SMILES notation for ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)?
The canonical SMILES for ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+) is [CH2-]C.[CH2-]CNC(=O)c1n[nH]c2c1-c1ncncc1CC2.[W+2].
What is the InChIKey of ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)?
The InChIKey is PGUQFIWWGNBWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N5O.C2H5.W/c1-2-14-12(18)11-9-8(16-17-11)4-3-7-5-13-6-15-10(7)9;1-2;/h5-6H,1-4H2,(H,14,18)(H,16,17);1H2,2H3;/q2*-1;+2.
What are the key properties of ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)?
ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+) has a molecular weight of 455.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+) is sourced from PubChem (CID 20756903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).