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

C21H18N6O2 — CID 91366577

IUPACethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1N(c1ccccn1)c1cnccn1
InChIInChI=1S/C21H18N6O2/c1-2-29-21(28)17-14-25-27(16-8-4-3-5-9-16)20(17)26(18-10-6-7-11-23-18)19-15-22-12-13-24-19/h3-15H,2H2,1H3
InChIKeyQMPAVZROZYBVCK-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.70
Rot. Bonds6

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

ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate (PubChem CID 91366577) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate
PubChem CID91366577
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Nameethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1N(c1ccccn1)c1cnccn1
InChIInChI=1S/C21H18N6O2/c1-2-29-21(28)17-14-25-27(16-8-4-3-5-9-16)20(17)26(18-10-6-7-11-23-18)19-15-22-12-13-24-19/h3-15H,2H2,1H3
InChIKeyQMPAVZROZYBVCK-UHFFFAOYSA-N
XLogP3.70
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
CID 742041
ethyl 4-{[4-(dimethylamino)phenyl]amino}-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 662147
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylanilino)pyrimidine-5-carboxylate
CID 1891364
2-(3,5-Dimethyl-pyrazol-1-yl)-4-[N'-(6-methyl-2-phenyl-pyrimidin-4-yl)-hydrazino]-pyrimidine-5-carboxylic acid ethyl ester
CID 1997570
Ethyl 2,7-diamino-3-(phenyldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135510979
ethyl 1-phenyl-5-[(2-piperidinoacetyl)amino]-1H-pyrazole-4-carboxylate
CID 2816009
Ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162647036
US9981944, Example 134
CID 122478479
US9981944, Example 130
CID 122478522
US9981944, Example 123
CID 122478618
Ethyl 4-(benzylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 662954
ethyl 1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylate
CID 2765903

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate (CID 91366577) is ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1N(c1ccccn1)c1cnccn1.
What is the InChIKey of ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate?
The InChIKey is QMPAVZROZYBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-2-29-21(28)17-14-25-27(16-8-4-3-5-9-16)20(17)26(18-10-6-7-11-23-18)19-15-22-12-13-24-19/h3-15H,2H2,1H3.
What are the key properties of ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate?
ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate has a molecular weight of 386.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-5-[pyrazin-2-yl(pyridin-2-yl)amino]pyrazole-4-carboxylate is sourced from PubChem (CID 91366577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).