dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate

C17H14N4O5 — CID 5112652

IUPACdimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cnn3cccnc23)cc(C(=O)OC)c1
InChIInChI=1S/C17H14N4O5/c1-25-16(23)10-6-11(17(24)26-2)8-12(7-10)20-15(22)13-9-19-21-5-3-4-18-14(13)21/h3-9H,1-2H3,(H,20,22)
InChIKeyVYCMSOZMAHLHBL-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.55
Rot. Bonds4

About dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate

dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate (PubChem CID 5112652) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
PubChem CID5112652
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Namedimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cnn3cccnc23)cc(C(=O)OC)c1
InChIInChI=1S/C17H14N4O5/c1-25-16(23)10-6-11(17(24)26-2)8-12(7-10)20-15(22)13-9-19-21-5-3-4-18-14(13)21/h3-9H,1-2H3,(H,20,22)
InChIKeyVYCMSOZMAHLHBL-UHFFFAOYSA-N
XLogP1.55
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414444
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146125081
N-(5-methoxy-2-methyl-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056166
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414567

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate (CID 5112652) is dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cnn3cccnc23)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate?
The InChIKey is VYCMSOZMAHLHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-25-16(23)10-6-11(17(24)26-2)8-12(7-10)20-15(22)13-9-19-21-5-3-4-18-14(13)21/h3-9H,1-2H3,(H,20,22).
What are the key properties of dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate?
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate has a molecular weight of 354.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate is sourced from PubChem (CID 5112652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).