ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate

C10H10N4O4 — CID 668032

IUPACethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C
InChIInChI=1S/C10H10N4O4/c1-3-18-10(15)7-4-11-9-8(14(16)17)5-12-13(9)6(7)2/h4-5H,3H2,1-2H3
InChIKeyJDYWHHZLNHDAON-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.12
Rot. Bonds3

About ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 668032) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID668032
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Nameethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C
InChIInChI=1S/C10H10N4O4/c1-3-18-10(15)7-4-11-9-8(14(16)17)5-12-13(9)6(7)2/h4-5H,3H2,1-2H3
InChIKeyJDYWHHZLNHDAON-UHFFFAOYSA-N
XLogP1.12
TPSA99.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-Methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 668033
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 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 699040
Ethyl 6-bromo-2-methylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 13425204
Ethyl 7-amino-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317904
Ethyl 7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 12173864
ethyl 7-[(E)-2-(dimethylamino)vinyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 11777381
Methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131292946
Ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 15187836
Ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2768095
Ethyl 3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxylate
CID 134192431

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 668032) is ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C.
What is the InChIKey of ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JDYWHHZLNHDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-3-18-10(15)7-4-11-9-8(14(16)17)5-12-13(9)6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 668032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).