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

C12H12N4O2 — CID 744061

IUPACethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C12H12N4O2/c1-4-18-12(17)10-7(2)15-11-9(5-13)6-14-16(11)8(10)3/h6H,4H2,1-3H3
InChIKeyNDTWSNKARDZRSI-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.39
Rot. Bonds2

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

ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 744061) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID744061
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Nameethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C12H12N4O2/c1-4-18-12(17)10-7(2)15-11-9(5-13)6-14-16(11)8(10)3/h6H,4H2,1-3H3
InChIKeyNDTWSNKARDZRSI-UHFFFAOYSA-N
XLogP1.39
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843623
Ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 726545
Ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 699040
5,7-Dimethylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 71757511
Ethyl 6-bromo-2-methylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 13425204
Ethyl 5-cyanopyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 122163468
Ethyl 6-acetyl-3-cyanopyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 335970
Ethyl 7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 12173864
Methyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 757574

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 744061) is ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1c(C)nc2c(C#N)cnn2c1C.
What is the InChIKey of ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is NDTWSNKARDZRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-4-18-12(17)10-7(2)15-11-9(5-13)6-14-16(11)8(10)3/h6H,4H2,1-3H3.
What are the key properties of ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 744061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).