ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate

C21H18N6O2 — CID 68527010

IUPACethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1Nc1cncc(-c2ccccn2)n1
InChIInChI=1S/C21H18N6O2/c1-2-29-21(28)16-12-24-27(15-8-4-3-5-9-15)20(16)26-19-14-22-13-18(25-19)17-10-6-7-11-23-17/h3-14H,2H2,1H3,(H,25,26)
InChIKeyZMDQHLJKODQJNB-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.64
Rot. Bonds6

About ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate

ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate (PubChem CID 68527010) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate
PubChem CID68527010
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Nameethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1Nc1cncc(-c2ccccn2)n1
InChIInChI=1S/C21H18N6O2/c1-2-29-21(28)16-12-24-27(15-8-4-3-5-9-15)20(16)26-19-14-22-13-18(25-19)17-10-6-7-11-23-17/h3-14H,2H2,1H3,(H,25,26)
InChIKeyZMDQHLJKODQJNB-UHFFFAOYSA-N
XLogP3.64
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate (CID 68527010) is ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1Nc1cncc(-c2ccccn2)n1.
What is the InChIKey of ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate?
The InChIKey is ZMDQHLJKODQJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-2-29-21(28)16-12-24-27(15-8-4-3-5-9-15)20(16)26-19-14-22-13-18(25-19)17-10-6-7-11-23-17/h3-14H,2H2,1H3,(H,25,26).
What are the key properties of ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate?
ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate has a molecular weight of 386.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-5-[(6-pyridin-2-ylpyrazin-2-yl)amino]pyrazole-4-carboxylate is sourced from PubChem (CID 68527010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).