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

C19H18N6O2 — CID 665447

IUPACethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)cnn23)c1N
InChIInChI=1S/C19H18N6O2/c1-3-27-19(26)15-11-21-24(17(15)20)16-9-12(2)23-18-14(10-22-25(16)18)13-7-5-4-6-8-13/h4-11H,3,20H2,1-2H3
InChIKeyIJAQEFPTCOPSMD-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.65
Rot. Bonds4

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

ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate (PubChem CID 665447) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
PubChem CID665447
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Nameethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)cnn23)c1N
InChIInChI=1S/C19H18N6O2/c1-3-27-19(26)15-11-21-24(17(15)20)16-9-12(2)23-18-14(10-22-25(16)18)13-7-5-4-6-8-13/h4-11H,3,20H2,1-2H3
InChIKeyIJAQEFPTCOPSMD-UHFFFAOYSA-N
XLogP2.65
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.65
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-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate (CID 665447) is ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)cnn23)c1N.
What is the InChIKey of ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The InChIKey is IJAQEFPTCOPSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-3-27-19(26)15-11-21-24(17(15)20)16-9-12(2)23-18-14(10-22-25(16)18)13-7-5-4-6-8-13/h4-11H,3,20H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 2.65, 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-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 665447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).