ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate

C14H19N7O4S — CID 22151093

IUPACethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate
SMILESCCOC(=O)C1(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)C=NN(C)C1
InChIInChI=1S/C14H19N7O4S/c1-5-25-11(22)14(7-15-20(4)8-14)19-26(23,24)13-17-12-16-9(2)6-10(3)21(12)18-13/h6-7,19H,5,8H2,1-4H3
InChIKeyLGOCTGKQRLHEJV-UHFFFAOYSA-N
MW381.42 g/mol
LogP-0.75
Rot. Bonds5

About ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate

ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate (PubChem CID 22151093) has the molecular formula C14H19N7O4S and a molecular weight of 381.42 g/mol. Its IUPAC name is ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate
PubChem CID22151093
Molecular FormulaC14H19N7O4S
Molecular Weight381.42 g/mol
Exact Mass381.12
IUPAC Nameethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate
SMILESCCOC(=O)C1(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)C=NN(C)C1
InChIInChI=1S/C14H19N7O4S/c1-5-25-11(22)14(7-15-20(4)8-14)19-26(23,24)13-17-12-16-9(2)6-10(3)21(12)18-13/h6-7,19H,5,8H2,1-4H3
InChIKeyLGOCTGKQRLHEJV-UHFFFAOYSA-N
XLogP-0.75
TPSA131.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate (CID 22151093) is ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate is CCOC(=O)C1(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)C=NN(C)C1.
What is the InChIKey of ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate?
The InChIKey is LGOCTGKQRLHEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O4S/c1-5-25-11(22)14(7-15-20(4)8-14)19-26(23,24)13-17-12-16-9(2)6-10(3)21(12)18-13/h6-7,19H,5,8H2,1-4H3.
What are the key properties of ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate?
ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate has a molecular weight of 381.42 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate is sourced from PubChem (CID 22151093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).