methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

C14H16N4O2 — CID 135522121

IUPACmethyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
SMILESCOC(=O)c1cnn2c1NCN(Cc1ccccc1)C2
InChIInChI=1S/C14H16N4O2/c1-20-14(19)12-7-16-18-10-17(9-15-13(12)18)8-11-5-3-2-4-6-11/h2-7,15H,8-10H2,1H3
InChIKeyQNQXNODUZIYYJA-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.51
Rot. Bonds3

About methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate (PubChem CID 135522121) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
PubChem CID135522121
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namemethyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
SMILESCOC(=O)c1cnn2c1NCN(Cc1ccccc1)C2
InChIInChI=1S/C14H16N4O2/c1-20-14(19)12-7-16-18-10-17(9-15-13(12)18)8-11-5-3-2-4-6-11/h2-7,15H,8-10H2,1H3
InChIKeyQNQXNODUZIYYJA-UHFFFAOYSA-N
XLogP1.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 649053
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211029
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211116
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate
CID 25211121
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25190987
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 44574417
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylate
CID 44574652
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 44574689
ethyl 5-amino-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate
CID 937102
ethyl 5-amino-1-benzyl-1H-pyrazole-4-carboxylate
CID 785810
Ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate
CID 44574654
5-(4-Fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2883927

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate?
The IUPAC name of methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate (CID 135522121) is methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate.
What is the SMILES notation for methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate?
The canonical SMILES for methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate is COC(=O)c1cnn2c1NCN(Cc1ccccc1)C2.
What is the InChIKey of methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate?
The InChIKey is QNQXNODUZIYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-14(19)12-7-16-18-10-17(9-15-13(12)18)8-11-5-3-2-4-6-11/h2-7,15H,8-10H2,1H3.
What are the key properties of methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate?
methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate is sourced from PubChem (CID 135522121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).