methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

C13H13N5O2 — CID 19916109

IUPACmethyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cn(C)nc2C)nc2ccnn12
InChIInChI=1S/C13H13N5O2/c1-8-9(7-17(2)16-8)10-6-11(13(19)20-3)18-12(15-10)4-5-14-18/h4-7H,1-3H3
InChIKeyFYXFXIYQGXDBMX-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.22
Rot. Bonds2

About methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916109) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916109
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Namemethyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cn(C)nc2C)nc2ccnn12
InChIInChI=1S/C13H13N5O2/c1-8-9(7-17(2)16-8)10-6-11(13(19)20-3)18-12(15-10)4-5-14-18/h4-7H,1-3H3
InChIKeyFYXFXIYQGXDBMX-UHFFFAOYSA-N
XLogP1.22
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 2525992
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CID 4776201
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CID 771929
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CID 21067290
CID 21067290
CID 2466731
CID 2466731
CID 4774543
CID 4774543
CID 2535053
CID 2535053
CID 165415010
CID 165415010
CID 165415034
CID 165415034
CID 754757
CID 754757
CID 2998819
CID 2998819
CID 4776266
CID 4776266

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916109) is methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2cn(C)nc2C)nc2ccnn12.
What is the InChIKey of methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is FYXFXIYQGXDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-8-9(7-17(2)16-8)10-6-11(13(19)20-3)18-12(15-10)4-5-14-18/h4-7H,1-3H3.
What are the key properties of methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).