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

C12H17N5O2 — CID 103545401

IUPACmethyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2cnn(C(C)C)c2)c1N
InChIInChI=1S/C12H17N5O2/c1-7(2)16-6-9(5-14-16)17-8(3)15-10(11(17)13)12(18)19-4/h5-7H,13H2,1-4H3
InChIKeyLKBRRBGTMBBRCA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.33
Rot. Bonds3

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

methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate (PubChem CID 103545401) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
PubChem CID103545401
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Namemethyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2cnn(C(C)C)c2)c1N
InChIInChI=1S/C12H17N5O2/c1-7(2)16-6-9(5-14-16)17-8(3)15-10(11(17)13)12(18)19-4/h5-7H,13H2,1-4H3
InChIKeyLKBRRBGTMBBRCA-UHFFFAOYSA-N
XLogP1.33
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate (CID 103545401) is methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate is COC(=O)c1nc(C)n(-c2cnn(C(C)C)c2)c1N.
What is the InChIKey of methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate?
The InChIKey is LKBRRBGTMBBRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7(2)16-6-9(5-14-16)17-8(3)15-10(11(17)13)12(18)19-4/h5-7H,13H2,1-4H3.
What are the key properties of methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate?
methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate is sourced from PubChem (CID 103545401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).