methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate

C11H15N5O2 — CID 114251426

IUPACmethyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2ccn(C(C)C)n2)c1N
InChIInChI=1S/C11H15N5O2/c1-7(2)16-5-4-8(14-16)15-6-13-9(10(15)12)11(17)18-3/h4-7H,12H2,1-3H3
InChIKeyDXCVDHBKTNPMPM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.02
Rot. Bonds3

About methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate

methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate (PubChem CID 114251426) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
PubChem CID114251426
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Namemethyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2ccn(C(C)C)n2)c1N
InChIInChI=1S/C11H15N5O2/c1-7(2)16-5-4-8(14-16)15-6-13-9(10(15)12)11(17)18-3/h4-7H,12H2,1-3H3
InChIKeyDXCVDHBKTNPMPM-UHFFFAOYSA-N
XLogP1.02
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate (CID 114251426) is methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate is COC(=O)c1ncn(-c2ccn(C(C)C)n2)c1N.
What is the InChIKey of methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate?
The InChIKey is DXCVDHBKTNPMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7(2)16-5-4-8(14-16)15-6-13-9(10(15)12)11(17)18-3/h4-7H,12H2,1-3H3.
What are the key properties of methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate?
methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 114251426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).