ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

C17H19N7O3 — CID 135431483

IUPACethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(/N=N/c3ccc(OCC)cc3)c(N)nn2c1N
InChIInChI=1S/C17H19N7O3/c1-3-26-11-7-5-10(6-8-11)21-22-13-14(18)23-24-15(19)12(9-20-16(13)24)17(25)27-4-2/h5-9H,3-4,19H2,1-2H3,(H2,18,23)/b22-21+
InChIKeyHSGIFJVRCQJVQV-QURGRASLSA-N
MW369.39 g/mol
LogP2.88
Rot. Bonds6

About ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135431483) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID135431483
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Nameethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(/N=N/c3ccc(OCC)cc3)c(N)nn2c1N
InChIInChI=1S/C17H19N7O3/c1-3-26-11-7-5-10(6-8-11)21-22-13-14(18)23-24-15(19)12(9-20-16(13)24)17(25)27-4-2/h5-9H,3-4,19H2,1-2H3,(H2,18,23)/b22-21+
InChIKeyHSGIFJVRCQJVQV-QURGRASLSA-N
XLogP2.88
TPSA142.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-[3,5-diamino-4-[(4-ethoxyphenyl)diazenyl]pyrazol-1-yl]ethanone
CID 1494811
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 16585334
ethyl 7-amino-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28740744
ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1419083
ethyl 5-amino-1-[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]pyrazole-4-carboxylate
CID 50743577
ethyl 4-amino-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 1123906
7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
CID 155810949
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222
ethyl 2-[(4-ethoxyphenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135459171
ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987444
3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 7313807

Frequently Asked Questions

What is the IUPAC name of ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 135431483) is ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(/N=N/c3ccc(OCC)cc3)c(N)nn2c1N.
What is the InChIKey of ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is HSGIFJVRCQJVQV-QURGRASLSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-3-26-11-7-5-10(6-8-11)21-22-13-14(18)23-24-15(19)12(9-20-16(13)24)17(25)27-4-2/h5-9H,3-4,19H2,1-2H3,(H2,18,23)/b22-21+.
What are the key properties of ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 369.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,7-diamino-3-[(4-ethoxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135431483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).