ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C13H15N3O3 — CID 131986687

IUPACethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(C(=O)CC)nc12
InChIInChI=1S/C13H15N3O3/c1-4-11(17)10-6-8(3)16-12(15-10)9(7-14-16)13(18)19-5-2/h6-7H,4-5H2,1-3H3
InChIKeyRWCQBIIRIKVFIO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.81
Rot. Bonds4

About ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 131986687) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID131986687
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(C(=O)CC)nc12
InChIInChI=1S/C13H15N3O3/c1-4-11(17)10-6-8(3)16-12(15-10)9(7-14-16)13(18)19-5-2/h6-7H,4-5H2,1-3H3
InChIKeyRWCQBIIRIKVFIO-UHFFFAOYSA-N
XLogP1.81
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(C-ethyl-N-hydroxycarbonimidoyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140822119
ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986710
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 7-methyl-5-[(E)-3-oxobut-1-enyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140822148
ethyl 7-methyl-5-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986760
ethyl 5-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986812
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59461253
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
ethyl 5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19440794

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 131986687) is ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C)cc(C(=O)CC)nc12.
What is the InChIKey of ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is RWCQBIIRIKVFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-4-11(17)10-6-8(3)16-12(15-10)9(7-14-16)13(18)19-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 131986687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).