ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C11H10N4O2 — CID 699040

IUPACethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(C#N)cnn2c1C
InChIInChI=1S/C11H10N4O2/c1-3-17-11(16)9-6-13-10-8(4-12)5-14-15(10)7(9)2/h5-6H,3H2,1-2H3
InChIKeyZAGMWHIPZBPEAT-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.09
Rot. Bonds2

About ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 699040) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID699040
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Nameethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(C#N)cnn2c1C
InChIInChI=1S/C11H10N4O2/c1-3-17-11(16)9-6-13-10-8(4-12)5-14-15(10)7(9)2/h5-6H,3H2,1-2H3
InChIKeyZAGMWHIPZBPEAT-UHFFFAOYSA-N
XLogP1.09
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazophos
CID 26033
Ethyl 7-amino-3-cyanopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 721647
2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2736303
Ethyl 3-cyano-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 698967
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
Ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1089239
Ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 668032
Ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 721646
Ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 744061
pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-7(6h)-butanoic acid, 3-(ethoxycarbonyl)-6-oxo-, sodium salt
CID 23699498
Ethyl 3-cyanopyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 17535128
2-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3159636

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 699040) is ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(C#N)cnn2c1C.
What is the InChIKey of ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is ZAGMWHIPZBPEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-3-17-11(16)9-6-13-10-8(4-12)5-14-15(10)7(9)2/h5-6H,3H2,1-2H3.
What are the key properties of ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 230.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 699040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).