ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate

C17H15N7O2 — CID 722246

IUPACethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc3c2cnn3-c2ccccc2)c1N
InChIInChI=1S/C17H15N7O2/c1-2-26-17(25)12-8-22-24(14(12)18)16-13-9-21-23(15(13)19-10-20-16)11-6-4-3-5-7-11/h3-10H,2,18H2,1H3
InChIKeyBLHPTMRXNXMMET-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.76
Rot. Bonds4

About ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate

ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate (PubChem CID 722246) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate
PubChem CID722246
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Nameethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc3c2cnn3-c2ccccc2)c1N
InChIInChI=1S/C17H15N7O2/c1-2-26-17(25)12-8-22-24(14(12)18)16-13-9-21-23(15(13)19-10-20-16)11-6-4-3-5-7-11/h3-10H,2,18H2,1H3
InChIKeyBLHPTMRXNXMMET-UHFFFAOYSA-N
XLogP1.76
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate (CID 722246) is ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ncnc3c2cnn3-c2ccccc2)c1N.
What is the InChIKey of ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The InChIKey is BLHPTMRXNXMMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-2-26-17(25)12-8-22-24(14(12)18)16-13-9-21-23(15(13)19-10-20-16)11-6-4-3-5-7-11/h3-10H,2,18H2,1H3.
What are the key properties of ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate has a molecular weight of 349.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 722246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).