ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate

C9H17N5O2 — CID 123601486

IUPACethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
SMILESC=C(N)N.CCOC(=O)c1cn(C)nc1N
InChIInChI=1S/C7H11N3O2.C2H6N2/c1-3-12-7(11)5-4-10(2)9-6(5)8;1-2(3)4/h4H,3H2,1-2H3,(H2,8,9);1,3-4H2
InChIKeyCMUVSQKBRTZFRP-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.45
Rot. Bonds2

About ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate

ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate (PubChem CID 123601486) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
PubChem CID123601486
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Nameethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
SMILESC=C(N)N.CCOC(=O)c1cn(C)nc1N
InChIInChI=1S/C7H11N3O2.C2H6N2/c1-3-12-7(11)5-4-10(2)9-6(5)8;1-2(3)4/h4H,3H2,1-2H3,(H2,8,9);1,3-4H2
InChIKeyCMUVSQKBRTZFRP-UHFFFAOYSA-N
XLogP-0.45
TPSA122.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
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ethyl 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate (CID 123601486) is ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate is C=C(N)N.CCOC(=O)c1cn(C)nc1N.
What is the InChIKey of ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate?
The InChIKey is CMUVSQKBRTZFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.C2H6N2/c1-3-12-7(11)5-4-10(2)9-6(5)8;1-2(3)4/h4H,3H2,1-2H3,(H2,8,9);1,3-4H2.
What are the key properties of ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate?
ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate has a molecular weight of 227.27 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 123601486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).