ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate

C9H9ClN4O2 — CID 86624427

IUPACethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C9H9ClN4O2/c1-3-16-9(15)7-12-6(10)5-4-11-14(2)8(5)13-7/h4H,3H2,1-2H3
InChIKeyBAZMEVQPPPOSFZ-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.19
Rot. Bonds2

About ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate

ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 86624427) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID86624427
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Nameethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C9H9ClN4O2/c1-3-16-9(15)7-12-6(10)5-4-11-14(2)8(5)13-7/h4H,3H2,1-2H3
InChIKeyBAZMEVQPPPOSFZ-UHFFFAOYSA-N
XLogP1.19
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
CID 131864954
ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55183640
4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine
CID 63220849
ethyl 1-methyl-4-oxopyrazolo[5,4-d][1,3]oxazine-6-carboxylate;ethyl 1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 158461577
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 127243781
ethyl (2R,3S)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-methylbutanoate
CID 99843622
ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate
CID 146328159
4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine
CID 63221030
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
ethyl 4-[5,6,7-tris(4-ethoxycarbonylphenyl)-1-methylindazol-4-yl]benzoate
CID 132967580

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate (CID 86624427) is ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(Cl)c2cnn(C)c2n1.
What is the InChIKey of ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is BAZMEVQPPPOSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-3-16-9(15)7-12-6(10)5-4-11-14(2)8(5)13-7/h4H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 240.65 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 86624427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).