ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate

C6H8N3O3P — CID 89231705

IUPACethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(N=O)cnn1P
InChIInChI=1S/C6H8N3O3P/c1-2-12-6(10)5-4(8-11)3-7-9(5)13/h3H,2,13H2,1H3
InChIKeyYMYRRTCMMDNSES-UHFFFAOYSA-N
MW201.12 g/mol
LogP1.10
Rot. Bonds3

About ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate

ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate (PubChem CID 89231705) has the molecular formula C6H8N3O3P and a molecular weight of 201.12 g/mol. Its IUPAC name is ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate
PubChem CID89231705
Molecular FormulaC6H8N3O3P
Molecular Weight201.12 g/mol
Exact Mass201.03
IUPAC Nameethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(N=O)cnn1P
InChIInChI=1S/C6H8N3O3P/c1-2-12-6(10)5-4(8-11)3-7-9(5)13/h3H,2,13H2,1H3
InChIKeyYMYRRTCMMDNSES-UHFFFAOYSA-N
XLogP1.10
TPSA73.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 174069750
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CID 122171230
ethyl 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole-5-carboxylate
CID 71137589
ethyl 4-formyl-1-phenylpyrazole-5-carboxylate
CID 112757155
ethyl 4-bromo-1-[(2S)-butan-2-yl]pyrazole-5-carboxylate
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ethyl 4-bromo-1-butylpyrazole-5-carboxylate
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CID 114472889

Frequently Asked Questions

What is the IUPAC name of ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate?
The IUPAC name of ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate (CID 89231705) is ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate is CCOC(=O)c1c(N=O)cnn1P.
What is the InChIKey of ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate?
The InChIKey is YMYRRTCMMDNSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3O3P/c1-2-12-6(10)5-4(8-11)3-7-9(5)13/h3H,2,13H2,1H3.
What are the key properties of ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate?
ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate has a molecular weight of 201.12 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-nitroso-1-phosphanylpyrazole-5-carboxylate is sourced from PubChem (CID 89231705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).