ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate

C20H20N6O2 — CID 665736

IUPACethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1N
InChIInChI=1S/C20H20N6O2/c1-4-28-20(27)15-11-22-25(18(15)21)16-10-12(2)23-19-17(13(3)24-26(16)19)14-8-6-5-7-9-14/h5-11H,4,21H2,1-3H3
InChIKeyWDHHFXIKDIICFA-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.96
Rot. Bonds4

About ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate

ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate (PubChem CID 665736) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
PubChem CID665736
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Nameethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1N
InChIInChI=1S/C20H20N6O2/c1-4-28-20(27)15-11-22-25(18(15)21)16-10-12(2)23-19-17(13(3)24-26(16)19)14-8-6-5-7-9-14/h5-11H,4,21H2,1-3H3
InChIKeyWDHHFXIKDIICFA-UHFFFAOYSA-N
XLogP2.96
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate (CID 665736) is ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1N.
What is the InChIKey of ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The InChIKey is WDHHFXIKDIICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-4-28-20(27)15-11-22-25(18(15)21)16-10-12(2)23-19-17(13(3)24-26(16)19)14-8-6-5-7-9-14/h5-11H,4,21H2,1-3H3.
What are the key properties of ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 665736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).