methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate

C7H11N3O2 — CID 19622696

IUPACmethyl 4-amino-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1N
InChIInChI=1S/C7H11N3O2/c1-4-5(8)6(7(11)12-3)9-10(4)2/h8H2,1-3H3
InChIKeyPPPYRJSMLGWDHP-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.10
Rot. Bonds1

About methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate

methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 19622696) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1,5-dimethylpyrazole-3-carboxylate
PubChem CID19622696
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl 4-amino-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1N
InChIInChI=1S/C7H11N3O2/c1-4-5(8)6(7(11)12-3)9-10(4)2/h8H2,1-3H3
InChIKeyPPPYRJSMLGWDHP-UHFFFAOYSA-N
XLogP0.10
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate (CID 19622696) is methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1N.
What is the InChIKey of methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is PPPYRJSMLGWDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-5(8)6(7(11)12-3)9-10(4)2/h8H2,1-3H3.
What are the key properties of methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate?
methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 19622696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).